CAS RN: 6860-65-7
CAS Name: 6-methyl-2-[[1-oxo-2-[4-[oxo-[(phenylmethyl)amino]methyl]phenoxy]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-[4-(benzylcarbamoyl)phenoxy]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-[[2-[4-(benzylcarbamoyl)phenoxy]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 6-methyl-2-[2-[4-[(phenylmethyl)carbamoyl]phenoxy]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C28H30N2O5S
MOLECULAR WEIGHT: 506.6132
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4
Structure:
CAS RN: 6629-31-8
CAS Name: 3-methylbenzoic acid [2-[(benzoylhydrazinylidene)methyl]-4-bromophenyl] ester
OPENEYE Name: [2-[(benzoylhydrazono)methyl]-4-bromo-phenyl] 3-methylbenzoate
IUPAC Name: [2-[(benzoylhydrazinylidene)methyl]-4-bromophenyl] 3-methylbenzoate
SYSTEMATIC NAME: [4-bromanyl-2-[(phenylcarbonylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
MOLECULAR FORMULA: C22H17BrN2O3
MOLECULAR WEIGHT: 437.28598
SMILES: CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC=CC=C3
Structure:
CAS RN: 6218-50-4
CAS Name: 2-[[[4-[4-[[(4-ethoxycarbonyl-2-thiazolyl)amino]-oxomethyl]phenoxy]phenyl]-oxomethyl]amino]-4-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[4-[4-[(4-ethoxycarbonylthiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]thiazole-4-carboxylate
IUPAC Name: ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]phenyl]carbonylamino]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C26H22N4O7S2
MOLECULAR WEIGHT: 566.60548
SMILES: CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)NC4=NC(=CS4)C(=O)OCC
Structure:
CAS RN: 6226-94-4
CAS Name: 2-bromo-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
OPENEYE Name: 2-bromo-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
IUPAC Name: 2-bromo-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SYSTEMATIC NAME: 2-bromanyl-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
MOLECULAR FORMULA: C18H13BrFN3OS
MOLECULAR WEIGHT: 418.282723
SMILES: C1C2=C(N(N=C2CS1)C3=CC=C(C=C3)F)NC(=O)C4=CC=CC=C4Br
Structure:
CAS RN: 6747-46-2
CAS Name: 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate
IUPAC Name: ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 2-ethyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C23H29NO4
MOLECULAR WEIGHT: 383.48066
SMILES: CCC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)OC)C(=O)OCC
Structure:
CAS RN: 114-79-4
CAS Name: (3,4-dimethylphenyl)urea
OPENEYE Name: (3,4-dimethylphenyl)urea
IUPAC Name: (3,4-dimethylphenyl)urea
SYSTEMATIC NAME: 1-(3,4-dimethylphenyl)urea
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CC1=C(C=C(C=C1)NC(=O)N)C
Structure:
CAS RN: 6663-54-3
CAS Name: (3,4-dimethylphenyl)urea
OPENEYE Name: (3,4-dimethylphenyl)urea
IUPAC Name: (3,4-dimethylphenyl)urea
SYSTEMATIC NAME: 1-(3,4-dimethylphenyl)urea
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CC1=C(C=C(C=C1)NC(=O)N)C
Structure:
CAS RN: 6528-70-7
CAS Name: 3-(2-ethylhexyl)-1,1-diphenylurea
OPENEYE Name: 3-(2-ethylhexyl)-1,1-diphenyl-urea
IUPAC Name: 3-(2-ethylhexyl)-1,1-diphenylurea
SYSTEMATIC NAME: 3-(2-ethylhexyl)-1,1-diphenyl-urea
MOLECULAR FORMULA: C21H28N2O
MOLECULAR WEIGHT: 324.45982
SMILES: CCCCC(CC)CNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 51169-86-9
CAS Name: 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea
OPENEYE Name: 1-ethyl-1-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-3-phenyl-thiourea
IUPAC Name: 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea
SYSTEMATIC NAME: 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea
MOLECULAR FORMULA: C19H21F3N2S
MOLECULAR WEIGHT: 366.44365
SMILES: CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)C(=S)NC2=CC=CC=C2
Structure:
CAS RN: 6350-65-8
CAS Name: N-[4-(dipentylsulfamoyl)phenyl]acetamide
OPENEYE Name: N-[4-(dipentylsulfamoyl)phenyl]acetamide
IUPAC Name: N-[4-(dipentylsulfamoyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(dipentylsulfamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C18H30N2O3S
MOLECULAR WEIGHT: 354.5074
SMILES: CCCCCN(CCCCC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C
Structure:
CAS RN: 6613-46-3
CAS Name: 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[2-oxo-1-(phenylmethyl)-3-indolylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
OPENEYE Name: methyl 2-(1-benzyl-2-oxo-indolin-3-ylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC Name: methyl 2-(1-benzyl-2-oxoindol-3-ylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: methyl 5-(4-methoxyphenyl)-7-methyl-3-oxidanylidene-2-[2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C31H25N3O5S
MOLECULAR WEIGHT: 551.6123
SMILES: CC1=C(C(N2C(=O)C(=C3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)OC)C(=O)OC
Structure:
CAS RN: 6060-58-8
CAS Name: 6a,9a-dichloro-6-(3-hydroxyphenyl)-2,8-dimethyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6a,9a-dichloro-6-(3-hydroxyphenyl)-2,8-dimethyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6a,9a-dichloro-6-(3-hydroxyphenyl)-2,8-dimethyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-6-(3-hydroxyphenyl)-2,8-dimethyl-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C22H20Cl2N2O5
MOLECULAR WEIGHT: 463.3106
SMILES: CN1C(=O)C2CC=C3C(C2C1=O)CC4(C(=O)N(C(=O)C4(C3C5=CC(=CC=C5)O)Cl)C)Cl
Structure:
CAS RN: 6845-49-4
CAS Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
OPENEYE Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
SYSTEMATIC NAME: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylethanoate
MOLECULAR FORMULA: C9H5F3NO5S-
MOLECULAR WEIGHT: 296.19991
SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)CC(=O)[O-]
Structure:
CAS RN: 6279-25-0
CAS Name: 2-[2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
IUPAC Name: ethyl 2-[2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C18H15N3O5S
MOLECULAR WEIGHT: 385.3938
SMILES: CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 6274-95-9
CAS Name: 2-phenyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide
OPENEYE Name: N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-phenyl-acetamide
IUPAC Name: 2-phenyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide
SYSTEMATIC NAME: 2-phenyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide
MOLECULAR FORMULA: C18H17N3O3S2
MOLECULAR WEIGHT: 387.47588
SMILES: C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CC3=CC=CC=C3
Structure:
CAS RN: 6787-68-4
CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-[(2,4-difluorophenyl)thio]-4-quinolinecarboxamide
OPENEYE Name: N-[2-(4-chlorophenyl)ethyl]-2-(2,4-difluorophenyl)sulfanyl-quinoline-4-carboxamide
IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-(2,4-difluorophenyl)sulfanylquinoline-4-carboxamide
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]sulfanyl-N-[2-(4-chlorophenyl)ethyl]quinoline-4-carboxamide
MOLECULAR FORMULA: C24H17ClF2N2OS
MOLECULAR WEIGHT: 454.919386
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)SC3=C(C=C(C=C3)F)F)C(=O)NCCC4=CC=C(C=C4)Cl
Structure:
CAS RN: 6668-12-8
CAS Name: 1-(2-methoxy-5-methylphenyl)-3-[(3-nitrophenyl)methylideneamino]thiourea
OPENEYE Name: 1-(2-methoxy-5-methyl-phenyl)-3-[(3-nitrophenyl)methyleneamino]thiourea
IUPAC Name: 1-(2-methoxy-5-methylphenyl)-3-[(3-nitrophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(2-methoxy-5-methyl-phenyl)-3-[(3-nitrophenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C16H16N4O3S
MOLECULAR WEIGHT: 344.38824
SMILES: CC1=CC(=C(C=C1)OC)NC(=S)NN=CC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 6565-39-5
CAS Name: 3-(5-iodo-2-furanyl)-2-propenoic acid [2-(4-bromophenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(5-iodo-2-furyl)prop-2-enoate
IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(5-iodofuran-2-yl)prop-2-enoate
SYSTEMATIC NAME: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(5-iodanylfuran-2-yl)prop-2-enoate
MOLECULAR FORMULA: C15H10BrIO4
MOLECULAR WEIGHT: 461.04597
SMILES: C1=CC(=CC=C1C(=O)COC(=O)C=CC2=CC=C(O2)I)Br
Structure:
CAS RN: 6860-64-6
CAS Name: 2-[[2-[4-[(4-fluoroanilino)-oxomethyl]phenoxy]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-[[2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C27H27FN2O5S
MOLECULAR WEIGHT: 510.577083
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F
Structure:
CAS RN: 6087-75-8
CAS Name: N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxo-3-pyrrolidinyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxo-pyrrolidin-3-yl]carbamate
IUPAC Name: benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
MOLECULAR FORMULA: C34H36N6O7S
MOLECULAR WEIGHT: 672.75064
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NN=NN6C
Structure:
CAS RN: 6087-14-5
CAS Name: acetic acid [1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(2-pyridinylthio)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] ester
OPENEYE Name: [2-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(2-pyridylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-methyl-2-oxo-ethyl] acetate
IUPAC Name: [1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] acetate
SYSTEMATIC NAME: [1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl] ethanoate
MOLECULAR FORMULA: C36H38N2O6S
MOLECULAR WEIGHT: 626.76172
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)C(C)OC(=O)C)CSC5=CC=CC=N5
Structure:
CAS RN: 6351-69-5
CAS Name: 4-cyano-3-methyl-5-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-oxoheptyl)amino]-2-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-cyano-3-methyl-5-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)thiophene-2-carboxylate
IUPAC Name: ethyl 4-cyano-3-methyl-5-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)thiophene-2-carboxylate
SYSTEMATIC NAME: ethyl 4-cyano-3-methyl-5-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C16H9F13N2O3S
MOLECULAR WEIGHT: 556.298502
SMILES: CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C#N)C
Structure:
CAS RN: 5031-85-6
CAS Name: 2-[[3-(1-naphthalenyl)-4-oxo-2-quinazolinyl]thio]acetic acid
OPENEYE Name: 2-[3-(1-naphthyl)-4-oxo-quinazolin-2-yl]sulfanylacetic acid
IUPAC Name: 2-(3-naphthalen-1-yl-4-oxoquinazolin-2-yl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(3-naphthalen-1-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoic acid
MOLECULAR FORMULA: C20H14N2O3S
MOLECULAR WEIGHT: 362.40176
SMILES: C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=CC=CC=C4N=C3SCC(=O)O
Structure:
CAS RN: 5204-09-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H58N4O9
MOLECULAR WEIGHT: 834.99552
SMILES: CN(C1CC(=NOCC2=CC=CC=C2)C3=CC(C(C4C3C1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-]
Structure:
CAS RN: 87906-97-6
CAS Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(phenylmethylthio)-5-sulfanylidene-1,2,4-triazin-3-one
OPENEYE Name: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-thioxo-1,2,4-triazin-3-one
IUPAC Name: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-1,2,4-triazin-3-one
SYSTEMATIC NAME: 2-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(phenylmethylsulfanyl)-5-sulfanylidene-1,2,4-triazin-3-one
MOLECULAR FORMULA: C15H17N3O5S2
MOLECULAR WEIGHT: 383.44258
SMILES: C1=CC=C(C=C1)CSC2=NN(C(=O)NC2=S)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 5953-08-2
CAS Name: 2-[butyl-[(2,6-dichloroanilino)-oxomethyl]amino]-N-(2-methylpropyl)-N-[(1-methyl-2-pyrrolyl)methyl]acetamide
OPENEYE Name: 2-[butyl-[(2,6-dichlorophenyl)carbamoyl]amino]-N-isobutyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
IUPAC Name: 2-[butyl-[(2,6-dichlorophenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[[2,6-bis(chloranyl)phenyl]carbamoyl-butyl-amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamide
MOLECULAR FORMULA: C23H32Cl2N4O2
MOLECULAR WEIGHT: 467.43178
SMILES: CCCCN(CC(=O)N(CC1=CC=CN1C)CC(C)C)C(=O)NC2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 5950-63-0
CAS Name: 2-[[[4-(3-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-N-pentyl-4-thiazolecarboxamide
OPENEYE Name: 2-[[4-(m-tolyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-pentyl-thiazole-4-carboxamide
IUPAC Name: 2-[[4-(3-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-pentyl-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-[[4-(3-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-pentyl-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C23H25N5OS3
MOLECULAR WEIGHT: 483.6725
SMILES: CCCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC(=C3)C)C4=CC=CS4
Structure:
CAS RN: 5384-80-5
CAS Name: N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-1-oxoethyl]phenyl]-4-methylbenzenesulfonamide
OPENEYE Name: N-[3-[2-(5-bromo-3-hydroxy-2-oxo-indolin-3-yl)acetyl]phenyl]-4-methyl-benzenesulfonamide
IUPAC Name: N-[3-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]phenyl]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[3-[2-(5-bromanyl-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)ethanoyl]phenyl]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C23H19BrN2O5S
MOLECULAR WEIGHT: 515.37636
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)CC3(C4=C(C=CC(=C4)Br)NC3=O)O
Structure:
CAS RN: 5196-92-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H51ClN4O6
MOLECULAR WEIGHT: 683.27704
SMILES: CCON=C1CC(C2(C3C1=CC(C(C3C4=C(O2)C=CC(=C4)OCC=C)CCCCO)CCCCO)OCC=C)N5C(=CN=N5)CCCCl
Structure:
CAS RN: 5196-31-6
CAS Name: 6-[(5-chloro-2-thiophenyl)methyl]-4-(1-piperidinyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
OPENEYE Name: 6-[(5-chloro-2-thienyl)methyl]-4-(1-piperidyl)-2-(4-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
IUPAC Name: 6-[(5-chlorothiophen-2-yl)methyl]-4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SYSTEMATIC NAME: 6-[(5-chloranylthiophen-2-yl)methyl]-4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
MOLECULAR FORMULA: C22H24ClN5S
MOLECULAR WEIGHT: 425.97746
SMILES: C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)CC4=CC=C(S4)Cl)C5=CC=NC=C5
Structure:
CAS RN: 5886-48-6
CAS Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
OPENEYE Name: N-[2-[[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
IUPAC Name: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
SYSTEMATIC NAME: N-[2-[[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
MOLECULAR FORMULA: C30H40N4O2
MOLECULAR WEIGHT: 488.6642
SMILES: CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)CN(CCC3=CC=CC=C3)C(=O)CC(C)(C)C
Structure:
CAS RN: 5604-88-6
CAS Name: 4-(4-chlorophenyl)-3-[(4-fluorophenyl)methylideneamino]-N-(2-oxolanylmethyl)-2-thiazolimine
OPENEYE Name: 4-(4-chlorophenyl)-3-[(4-fluorophenyl)methyleneamino]-N-(tetrahydrofuran-2-ylmethyl)thiazol-2-imine
IUPAC Name: 4-(4-chlorophenyl)-3-[(4-fluorophenyl)methylideneamino]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SYSTEMATIC NAME: 4-(4-chlorophenyl)-3-[(4-fluorophenyl)methylideneamino]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
MOLECULAR FORMULA: C21H19ClFN3OS
MOLECULAR WEIGHT: 415.911463
SMILES: C1CC(OC1)CN=C2N(C(=CS2)C3=CC=C(C=C3)Cl)N=CC4=CC=C(C=C4)F
Structure:
CAS RN: 5104-02-9
CAS Name: 2-(1-piperazinyl)-1-(3-pyridinyl)ethanol
OPENEYE Name: 2-piperazin-1-yl-1-(3-pyridyl)ethanol
IUPAC Name: 2-piperazin-1-yl-1-pyridin-3-ylethanol
SYSTEMATIC NAME: 2-piperazin-1-yl-1-pyridin-3-yl-ethanol
MOLECULAR FORMULA: C11H17N3O
MOLECULAR WEIGHT: 207.27218
SMILES: C1CN(CCN1)CC(C2=CN=CC=C2)O
Structure:
CAS RN: 5890-82-4
CAS Name: 5-[[(2,6-dichloroanilino)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[3-(4-morpholinyl)propyl]benzamide
OPENEYE Name: 5-[(2,6-dichlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholinopropyl)benzamide
IUPAC Name: 5-[(2,6-dichlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SYSTEMATIC NAME: 5-[[2,6-bis(chloranyl)phenyl]carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
MOLECULAR FORMULA: C32H38Cl2N6O4
MOLECULAR WEIGHT: 641.58792
SMILES: COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC4=C(C=CC=C4Cl)Cl)C(=O)NCCCN5CCOCC5
Structure:
CAS RN: 5889-59-8
CAS Name: 5-[[[4-(methylthio)anilino]-oxomethyl]amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-propan-2-ylbenzamide
OPENEYE Name: 2-(4-benzyl-1-piperidyl)-N-isopropyl-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide
IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 5-[(4-methylsulfanylphenyl)carbamoylamino]-2-[4-(phenylmethyl)piperidin-1-yl]-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C30H36N4O2S
MOLECULAR WEIGHT: 516.69744
SMILES: CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCC(CC3)CC4=CC=CC=C4
Structure:
CAS RN: 5682-12-2
CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide
OPENEYE Name: N-(2-chloro-4-nitro-phenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(2-chloranyl-4-nitro-phenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C11H9ClN4O3S2
MOLECULAR WEIGHT: 344.79716
SMILES: CC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 5495-20-5
CAS Name: 4-chloro-N-[5-(dimethylaminomethylidene)-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]benzenesulfonamide
OPENEYE Name: N-[3-allyl-5-(dimethylaminomethylene)-4-oxo-thiazolidin-2-ylidene]-4-chloro-benzenesulfonamide
IUPAC Name: 4-chloro-N-[5-(dimethylaminomethylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-[5-(dimethylaminomethylidene)-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C15H16ClN3O3S2
MOLECULAR WEIGHT: 385.88884
SMILES: CN(C)C=C1C(=O)N(C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)S1)CC=C
Structure:
CAS RN: 5340-09-0
CAS Name: 3-[[2-methyl-1-(5-nitro-2-pyridinyl)-3-indolyl]methylideneamino]-1H-quinazoline-2,4-dione
OPENEYE Name: 3-[[2-methyl-1-(5-nitro-2-pyridyl)indol-3-yl]methyleneamino]-1H-quinazoline-2,4-dione
IUPAC Name: 3-[[2-methyl-1-(5-nitropyridin-2-yl)indol-3-yl]methylideneamino]-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 3-[[2-methyl-1-(5-nitropyridin-2-yl)indol-3-yl]methylideneamino]-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C23H16N6O4
MOLECULAR WEIGHT: 440.41094
SMILES: CC1=C(C2=CC=CC=C2N1C3=NC=C(C=C3)[N+](=O)[O-])C=NN4C(=O)C5=CC=CC=C5NC4=O
Structure:
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