CAS RN: 5917-74-8
CAS Name: 2-[[(4-ethoxyanilino)-oxomethyl]-(2-methylpropyl)amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide
OPENEYE Name: N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-isobutyl-amino]-N-(2-thienylmethyl)acetamide
IUPAC Name: N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[(4-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C27H33N3O3S
MOLECULAR WEIGHT: 479.63422
SMILES: CCOC1=CC=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3
Structure:
CAS RN: 6538-44-9
CAS Name: N-[(1-methyl-2-pyrrolyl)-diphenylphosphoranylidene]-1-piperidinecarbothioamide
OPENEYE Name: N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]piperidine-1-carbothioamide
IUPAC Name: N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]piperidine-1-carbothioamide
SYSTEMATIC NAME: N-[(1-methylpyrrol-2-yl)-diphenyl-$l^{5}-phosphanylidene]piperidine-1-carbothioamide
MOLECULAR FORMULA: C23H26N3PS
MOLECULAR WEIGHT: 407.511401
SMILES: CN1C=CC=C1P(=NC(=S)N2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5338-68-1
CAS Name: 2-[3-(4-nitrophenyl)sulfonylprop-2-enylthio]-5-(phenylmethyl)-1,3,4-oxadiazole
OPENEYE Name: 2-benzyl-5-[3-(4-nitrophenyl)sulfonylallylsulfanyl]-1,3,4-oxadiazole
IUPAC Name: 2-benzyl-5-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[3-(4-nitrophenyl)sulfonylprop-2-enylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C18H15N3O5S2
MOLECULAR WEIGHT: 417.4588
SMILES: C1=CC=C(C=C1)CC2=NN=C(O2)SCC=CS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 52385-79-2
CAS Name: 2-(3-chlorophenyl)piperazine
OPENEYE Name: 2-(3-chlorophenyl)piperazine
IUPAC Name: 2-(3-chlorophenyl)piperazine
SYSTEMATIC NAME: 2-(3-chlorophenyl)piperazine
MOLECULAR FORMULA: C10H13ClN2
MOLECULAR WEIGHT: 196.67662
SMILES: C1CNC(CN1)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 6048-58-4
CAS Name: 2-(3-chlorophenyl)piperazine
OPENEYE Name: 2-(3-chlorophenyl)piperazine
IUPAC Name: 2-(3-chlorophenyl)piperazine
SYSTEMATIC NAME: 2-(3-chlorophenyl)piperazine
MOLECULAR FORMULA: C10H13ClN2
MOLECULAR WEIGHT: 196.67662
SMILES: C1CNC(CN1)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 6043-06-7
CAS Name: 3-(4-chlorophenyl)-1-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-propylurea
OPENEYE Name: 3-(4-chlorophenyl)-1-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxo-ethyl]-1-propyl-urea
IUPAC Name: 3-(4-chlorophenyl)-1-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-propylurea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-[2-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxidanylidene-ethyl]-1-propyl-urea
MOLECULAR FORMULA: C26H29ClN4O3
MOLECULAR WEIGHT: 480.98646
SMILES: CCCN(CC(=O)N1CCN2C=CC=C2C1C3=CC=CC=C3OC)C(=O)NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 6329-20-0
CAS Name: 5-[(10-methyl-3-phenothiazinyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(10-methylphenothiazin-3-yl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C17H12N2OS3
MOLECULAR WEIGHT: 356.48498
SMILES: CN1C2=C(C=C(C=C2)C=C3C(=O)NC(=S)S3)SC4=CC=CC=C41
Structure:
CAS RN: 5331-53-3
CAS Name: N-[(4-bromo-2-iodoanilino)-sulfanylidenemethyl]-2-iodobenzamide
OPENEYE Name: N-[(4-bromo-2-iodo-phenyl)carbamothioyl]-2-iodo-benzamide
IUPAC Name: N-[(4-bromo-2-iodophenyl)carbamothioyl]-2-iodobenzamide
SYSTEMATIC NAME: N-[(4-bromanyl-2-iodanyl-phenyl)carbamothioyl]-2-iodanyl-benzamide
MOLECULAR FORMULA: C14H9BrI2N2OS
MOLECULAR WEIGHT: 587.012
SMILES: C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)I)I
Structure:
CAS RN: 5327-85-5
CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(1-naphthalenyloxy)acetamide
OPENEYE Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(1-naphthyloxy)acetamide
IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-naphthalen-1-yloxyacetamide
SYSTEMATIC NAME: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-naphthalen-1-yloxy-ethanamide
MOLECULAR FORMULA: C21H17N3O3S
MOLECULAR WEIGHT: 391.44298
SMILES: CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 6175-48-0
CAS Name: 1-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1-(2-oxolanylmethyl)thiourea
OPENEYE Name: 1-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea
IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1-(oxolan-2-ylmethyl)thiourea
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1-(oxolan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C20H23FN2O2S
MOLECULAR WEIGHT: 374.472223
SMILES: COC1=CC=CC(=C1)NC(=S)N(CC2CCCO2)CC3=CC=CC=C3F
Structure:
CAS RN: 5732-66-1
CAS Name: 2-[[2-naphthalenyl(oxo)methyl]amino]acetic acid [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ester
OPENEYE Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] 2-(naphthalene-2-carbonylamino)acetate
IUPAC Name: [2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SYSTEMATIC NAME: [2-[(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylcarbonylamino)ethanoate
MOLECULAR FORMULA: C23H21N3O5S
MOLECULAR WEIGHT: 451.49494
SMILES: C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 5728-37-0
CAS Name: 2-[[[[(2,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OPENEYE Name: 2-[(2,4-dimethylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
IUPAC Name: 2-[(2,4-dimethylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 2-[(2,4-dimethylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C19H21N3O2S2
MOLECULAR WEIGHT: 387.51894
SMILES: CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N)C
Structure:
CAS RN: 5875-85-4
CAS Name: 1-[1-[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]propyl]-1-hexyl-3-(2-methylphenyl)urea
OPENEYE Name: 1-[1-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]propyl]-1-hexyl-3-(o-tolyl)urea
IUPAC Name: 1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-hexyl-3-(2-methylphenyl)urea
SYSTEMATIC NAME: 1-[1-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-1-hexyl-3-(2-methylphenyl)urea
MOLECULAR FORMULA: C31H35FN4O2
MOLECULAR WEIGHT: 514.633603
SMILES: CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4C
Structure:
CAS RN: 5319-40-4
CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]acetamide
OPENEYE Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]acetamide
IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C21H21FN4OS2
MOLECULAR WEIGHT: 428.546043
SMILES: CC1=CC(=C(C=C1C=NNC(=O)CSC2=NC3=CC=CC=C3S2)F)N4CCCC4
Structure:
CAS RN: 6828-11-1
CAS Name: 5-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-2-hydroxybenzoate
OPENEYE Name: 5-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-2-hydroxy-benzoate
IUPAC Name: 5-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-2-hydroxybenzoate
SYSTEMATIC NAME: 5-[3-ethanoyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]-2-oxidanyl-benzoate
MOLECULAR FORMULA: C19H13N2O8-
MOLECULAR WEIGHT: 397.31512
SMILES: CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)O)C(=O)[O-])O
Structure:
CAS RN: 5697-54-1
CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
OPENEYE Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate
IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SYSTEMATIC NAME: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
MOLECULAR FORMULA: C23H20N2O5
MOLECULAR WEIGHT: 404.4153
SMILES: CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43
Structure:
CAS RN: 6168-27-0
CAS Name: 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
OPENEYE Name: 4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-(1-isopropyl-2-methyl-propyl)benzamide
IUPAC Name: 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
SYSTEMATIC NAME: 4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)benzamide
MOLECULAR FORMULA: C22H29ClN2O3S
MOLECULAR WEIGHT: 436.99526
SMILES: CC(C)C(C(C)C)NC(=O)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)Cl)S(=O)(=O)C
Structure:
CAS RN: 6694-05-9
CAS Name: 17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
OPENEYE Name: 17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
IUPAC Name: 17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
SYSTEMATIC NAME: 17-ethanoyl-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
MOLECULAR FORMULA: C22H31NO2
MOLECULAR WEIGHT: 341.48704
SMILES: CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C#N
Structure:
CAS RN: 6691-60-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H24Cl2N8Si
MOLECULAR WEIGHT: 811.74926
SMILES: C1=CC=C2C=C3C(=CC2=C1)C4=NC5=C6C=C7C=CC=CC7=CC6=C8N5[Si](N9C(=NC3=N4)C1=CC2=CC=CC=C2C=C1C9=NC1=NC(=N8)C2=CC3=CC=CC=C3C=C21)(Cl)Cl
Structure:
CAS RN: 5018-90-6
CAS Name: 2-[3-(4-aminobutyl)-2-(8-ethoxy-5-quinolinyl)-1H-indol-5-yl]acetic acid
OPENEYE Name: 2-[3-(4-aminobutyl)-2-(8-ethoxy-5-quinolyl)-1H-indol-5-yl]acetic acid
IUPAC Name: 2-[3-(4-aminobutyl)-2-(8-ethoxyquinolin-5-yl)-1H-indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(4-azanylbutyl)-2-(8-ethoxyquinolin-5-yl)-1H-indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C25H27N3O3
MOLECULAR WEIGHT: 417.50018
SMILES: CCOC1=C2C(=C(C=C1)C3=C(C4=C(N3)C=CC(=C4)CC(=O)O)CCCCN)C=CC=N2
Structure:
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