CAS RN: 6179-93-7
CAS Name: 5-bromo-3-(2,6-dimethylanilino)-2-indolone
OPENEYE Name: 5-bromo-3-(2,6-dimethylanilino)indol-2-one
IUPAC Name: 5-bromo-3-(2,6-dimethylanilino)indol-2-one
SYSTEMATIC NAME: 5-bromanyl-3-[(2,6-dimethylphenyl)amino]indol-2-one
MOLECULAR FORMULA: C16H13BrN2O
MOLECULAR WEIGHT: 329.19122
SMILES: CC1=C(C(=CC=C1)C)NC2=C3C=C(C=CC3=NC2=O)Br
Structure:
CAS RN: 6179-32-4
CAS Name: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-difluorobenzamide
OPENEYE Name: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-difluoro-benzamide
IUPAC Name: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-difluorobenzamide
SYSTEMATIC NAME: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C15H8ClF2N3OS
MOLECULAR WEIGHT: 351.758326
SMILES: C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)C3=C(C=CC=C3F)F)Cl
Structure:
CAS RN: 6315-37-3
CAS Name: N-[2-[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]acetamide
OPENEYE Name: N-[2-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]acetamide
IUPAC Name: N-[2-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SYSTEMATIC NAME: N-[2-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]ethanamide
MOLECULAR FORMULA: C21H21BrN4O3S
MOLECULAR WEIGHT: 489.38544
SMILES: CC(=O)NCCC1=NN=C(N1C2=CC(=CC=C2)OC)SCC(=O)C3=CC=C(C=C3)Br
Structure:
CAS RN: 6227-09-4
CAS Name: N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide
OPENEYE Name: N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenyl-benzamide
IUPAC Name: N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenylbenzamide
SYSTEMATIC NAME: N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-phenyl-benzamide
MOLECULAR FORMULA: C26H23N3OS
MOLECULAR WEIGHT: 425.54532
SMILES: CC1=C(C(=CC=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C
Structure:
CAS RN: 6224-64-2
CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
OPENEYE Name: N-(4-methyl-1,3-benzothiazol-2-yl)tetralin-6-carboxamide
IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SYSTEMATIC NAME: N-(4-methyl-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
MOLECULAR FORMULA: C19H18N2OS
MOLECULAR WEIGHT: 322.42402
SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC4=C(CCCC4)C=C3
Structure:
CAS RN: 6776-45-0
CAS Name: 4-bromo-2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
OPENEYE Name: 4-bromo-2-[2-(3-bromo-4-methoxy-phenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
IUPAC Name: 4-bromo-2-[2-(3-bromo-4-methoxyphenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
SYSTEMATIC NAME: 4-bromanyl-2-[2-(3-bromanyl-4-methoxy-phenyl)-6-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol
MOLECULAR FORMULA: C24H23Br2N2O2+
MOLECULAR WEIGHT: 531.25962
SMILES: CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC(=C(C=C3)OC)Br)C4=C(C=CC(=C4)Br)O
Structure:
CAS RN: 6776-44-9
CAS Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
OPENEYE Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol
IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
SYSTEMATIC NAME: 2-[6-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxy-phenol
MOLECULAR FORMULA: C25H24BrN2O4+
MOLECULAR WEIGHT: 496.37306
SMILES: CCOC1=CC=CC(=C1O)C2C=C(NC([NH2+]2)C3=CC(=CC=C3)Br)C4=CC5=C(C=C4)OCO5
Structure:
CAS RN: 6671-99-4
CAS Name: N-(3-chloro-4-methylphenyl)carbamic acid (4-chloro-3-methylphenyl) ester
OPENEYE Name: (4-chloro-3-methyl-phenyl) N-(3-chloro-4-methyl-phenyl)carbamate
IUPAC Name: (4-chloro-3-methylphenyl) N-(3-chloro-4-methylphenyl)carbamate
SYSTEMATIC NAME: (4-chloranyl-3-methyl-phenyl) N-(3-chloranyl-4-methyl-phenyl)carbamate
MOLECULAR FORMULA: C15H13Cl2NO2
MOLECULAR WEIGHT: 310.17522
SMILES: CC1=C(C=C(C=C1)NC(=O)OC2=CC(=C(C=C2)Cl)C)Cl
Structure:
CAS RN: 6671-38-1
CAS Name: N-[(2-chlorophenyl)methylideneamino]-2-[[(3-nitroanilino)-oxomethyl]amino]acetamide
OPENEYE Name: N-[(2-chlorophenyl)methyleneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide
IUPAC Name: N-[(2-chlorophenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide
SYSTEMATIC NAME: N-[(2-chlorophenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]ethanamide
MOLECULAR FORMULA: C16H14ClN5O4
MOLECULAR WEIGHT: 375.76646
SMILES: C1=CC=C(C(=C1)C=NNC(=O)CNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 6667-09-0
CAS Name: N-(2-methylphenyl)carbamic acid prop-2-enyl ester
OPENEYE Name: allyl N-(o-tolyl)carbamate
IUPAC Name: prop-2-enyl N-(2-methylphenyl)carbamate
SYSTEMATIC NAME: prop-2-enyl N-(2-methylphenyl)carbamate
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CC1=CC=CC=C1NC(=O)OCC=C
Structure:
CAS RN: 6096-07-7
CAS Name: 4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[[1-(4-hydroxyphenyl)-5-tetrazolyl]thio]methyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid
OPENEYE Name: 4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxo-butanoic acid
IUPAC Name: 4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[3-[4-[4-(hydroxymethyl)phenyl]-6-[[1-(4-hydroxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C29H29N5O7S
MOLECULAR WEIGHT: 591.63486
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCC(=O)O)CSC4=NN=NN4C5=CC=C(C=C5)O
Structure:
CAS RN: 6093-62-5
CAS Name: 1-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(phenylmethyl)urea
OPENEYE Name: 1-benzyl-3-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
IUPAC Name: 1-benzyl-3-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
SYSTEMATIC NAME: 1-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-(phenylmethyl)urea
MOLECULAR FORMULA: C38H37N3O5S
MOLECULAR WEIGHT: 647.78248
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)NCC5=CC=CC=C5)CSC6=CC=CC=[N+]6[O-]
Structure:
CAS RN: 6093-01-2
CAS Name: [4-[2-[4-(aminomethyl)phenyl]-6-[[2-(methoxymethyl)-1-pyrrolidinyl]methyl]-1,3-dioxan-4-yl]phenyl]methanol
OPENEYE Name: [4-[2-[4-(aminomethyl)phenyl]-6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-4-yl]phenyl]methanol
IUPAC Name: [4-[2-[4-(aminomethyl)phenyl]-6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-4-yl]phenyl]methanol
SYSTEMATIC NAME: [4-[2-[4-(aminomethyl)phenyl]-6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-4-yl]phenyl]methanol
MOLECULAR FORMULA: C25H34N2O4
MOLECULAR WEIGHT: 426.54846
SMILES: COCC1CCCN1CC2CC(OC(O2)C3=CC=C(C=C3)CN)C4=CC=C(C=C4)CO
Structure:
CAS RN: 6827-93-6
CAS Name: 2-[[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinyl]-oxomethyl]amino]ethyl-diethylammonium
OPENEYE Name: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carbonyl]amino]ethyl-diethyl-ammonium
IUPAC Name: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl]amino]ethyl-diethylazanium
SYSTEMATIC NAME: 2-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethyl-diethyl-azanium
MOLECULAR FORMULA: C26H34N3O5+
MOLECULAR WEIGHT: 468.56526
SMILES: CC[NH+](CC)CCNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)OCC
Structure:
CAS RN: 5826-04-0
CAS Name: N-[[3-chloro-4-[3-(4-ethylphenoxy)propoxy]-5-methoxyphenyl]methylideneamino]carbamic acid methyl ester
OPENEYE Name: methyl N-[[3-chloro-4-[3-(4-ethylphenoxy)propoxy]-5-methoxy-phenyl]methyleneamino]carbamate
IUPAC Name: methyl N-[[3-chloro-4-[3-(4-ethylphenoxy)propoxy]-5-methoxyphenyl]methylideneamino]carbamate
SYSTEMATIC NAME: methyl N-[[3-chloranyl-4-[3-(4-ethylphenoxy)propoxy]-5-methoxy-phenyl]methylideneamino]carbamate
MOLECULAR FORMULA: C21H25ClN2O5
MOLECULAR WEIGHT: 420.8866
SMILES: CCC1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2Cl)C=NNC(=O)OC)OC
Structure:
CAS RN: 29769-65-1
CAS Name: 3,5-bis(sulfanylidene)-2H-1,2,4-triazine-6-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3,5-dithioxo-2H-1,2,4-triazine-6-carboxylate
IUPAC Name: ethyl 3,5-bis(sulfanylidene)-2H-1,2,4-triazine-6-carboxylate
SYSTEMATIC NAME: ethyl 3,5-bis(sulfanylidene)-2H-1,2,4-triazine-6-carboxylate
MOLECULAR FORMULA: C6H7N3O2S2
MOLECULAR WEIGHT: 217.26868
SMILES: CCOC(=O)C1=NNC(=S)NC1=S
Structure:
CAS RN: 16797-72-1
CAS Name: acetic acid [3,4-diacetyloxy-5-[2,6-bis(sulfanylidene)-3H-purin-7-yl]-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(2,6-dithioxo-3H-purin-7-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-[2,6-bis(sulfanylidene)-3H-purin-7-yl]oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-[2,6-bis(sulfanylidene)-3H-purin-7-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18N4O7S2
MOLECULAR WEIGHT: 442.46672
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2C(=S)NC(=S)N3)OC(=O)C)OC(=O)C
Structure:
CAS RN: 5360-19-0
CAS Name: 5-[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-furanyl]-2-chlorobenzoic acid
OPENEYE Name: 5-[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-furyl]-2-chloro-benzoic acid
IUPAC Name: 5-[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]-2-chlorobenzoic acid
SYSTEMATIC NAME: 5-[5-(6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]-2-chloranyl-benzoic acid
MOLECULAR FORMULA: C19H13ClN4O4
MOLECULAR WEIGHT: 396.78392
SMILES: CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O
Structure:
CAS RN: 5727-30-0
CAS Name: 1-[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
OPENEYE Name: 1-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
IUPAC Name: 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SYSTEMATIC NAME: 1-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
MOLECULAR FORMULA: C23H19Cl2N3O3S
MOLECULAR WEIGHT: 488.38626
SMILES: CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)OC
Structure:
CAS RN: 5746-30-5
CAS Name: 3-(2,4-dimethoxyphenyl)-2-propenoic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester
OPENEYE Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] 3-(2,4-dimethoxyphenyl)prop-2-enoate
IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-(2,4-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-(2,4-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C19H25NO7S
MOLECULAR WEIGHT: 411.4693
SMILES: CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C=CC2=C(C=C(C=C2)OC)OC
Structure:
CAS RN: 4061-42-1
CAS Name: acetic acid 2-[[6-[[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester
OPENEYE Name: 2-[[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate
IUPAC Name: 2-[[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate
SYSTEMATIC NAME: 2-[[6-[2-(4-methylsulfonylphenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate
MOLECULAR FORMULA: C20H20N2O5S3
MOLECULAR WEIGHT: 464.5782
SMILES: CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C
Structure:
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