CAS RN: 6612-77-7
CAS Name: 4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione
OPENEYE Name: 4-[(4-allyloxy-2-methyl-phenyl)-hydroxy-methylene]-5-(4-isopropylphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione
IUPAC Name: 4-[hydroxy-(2-methyl-4-prop-2-enoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[(2-methyl-4-prop-2-enoxy-phenyl)-oxidanyl-methylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C30H30N2O4
MOLECULAR WEIGHT: 482.5702
SMILES: CC1=C(C=CC(=C1)OCC=C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(C)C)O
Structure:
CAS RN: 6612-16-4
CAS Name: 4-chloro-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
OPENEYE Name: 4-chloro-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
IUPAC Name: 4-chloro-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[2,2,2-tris(chloranyl)-1-[(4-chlorophenyl)amino]ethyl]benzamide
MOLECULAR FORMULA: C15H11Cl5N2O
MOLECULAR WEIGHT: 412.52564
SMILES: C1=CC(=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 6177-41-9
CAS Name: N-(2-benzoyl-4-methylphenyl)-5-bromo-2-thiophenecarboxamide
OPENEYE Name: N-(2-benzoyl-4-methyl-phenyl)-5-bromo-thiophene-2-carboxamide
IUPAC Name: N-(2-benzoyl-4-methylphenyl)-5-bromothiophene-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-[4-methyl-2-(phenylcarbonyl)phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C19H14BrNO2S
MOLECULAR WEIGHT: 400.28896
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=CC=C(S2)Br)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 5540-91-0
CAS Name: N-carbamoyl-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide
OPENEYE Name: N-carbamoyl-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide
IUPAC Name: N-carbamoyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: N-aminocarbonyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C16H19N3O2S
MOLECULAR WEIGHT: 317.40596
SMILES: CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC(=O)N)C)C
Structure:
CAS RN: 5587-33-7
CAS Name: N-(2-chlorophenyl)-4-(1-naphthalenylmethylthio)-3-nitrobenzenesulfonamide
OPENEYE Name: N-(2-chlorophenyl)-4-(1-naphthylmethylsulfanyl)-3-nitro-benzenesulfonamide
IUPAC Name: N-(2-chlorophenyl)-4-(naphthalen-1-ylmethylsulfanyl)-3-nitrobenzenesulfonamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-4-(naphthalen-1-ylmethylsulfanyl)-3-nitro-benzenesulfonamide
MOLECULAR FORMULA: C23H17ClN2O4S2
MOLECULAR WEIGHT: 484.97508
SMILES: C1=CC=C2C(=C1)C=CC=C2CSC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4Cl)[N+](=O)[O-]
Structure:
CAS RN: 5571-79-9
CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
OPENEYE Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-1-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C22H23Cl2N3O2
MOLECULAR WEIGHT: 432.34292
SMILES: CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3CC(=O)N(C3=O)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 5049-44-5
CAS Name: N-[1-[(4-methylanilino)-oxomethoxy]butan-2-yl]carbamic acid propan-2-yl ester
OPENEYE Name: 2-(isopropoxycarbonylamino)butyl N-(p-tolyl)carbamate
IUPAC Name: 2-(propan-2-yloxycarbonylamino)butyl N-(4-methylphenyl)carbamate
SYSTEMATIC NAME: 2-(propan-2-yloxycarbonylamino)butyl N-(4-methylphenyl)carbamate
MOLECULAR FORMULA: C16H24N2O4
MOLECULAR WEIGHT: 308.37276
SMILES: CCC(COC(=O)NC1=CC=C(C=C1)C)NC(=O)OC(C)C
Structure:
CAS RN: 5765-45-7
CAS Name: N-[1-(4-methoxyphenyl)ethylideneamino]-2-(2-naphthalenylamino)propanamide
OPENEYE Name: N-[1-(4-methoxyphenyl)ethylideneamino]-2-(2-naphthylamino)propanamide
IUPAC Name: N-[1-(4-methoxyphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
SYSTEMATIC NAME: N-[1-(4-methoxyphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
MOLECULAR FORMULA: C22H23N3O2
MOLECULAR WEIGHT: 361.43692
SMILES: CC(C(=O)NN=C(C)C1=CC=C(C=C1)OC)NC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 5316-64-3
CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole
OPENEYE Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole
IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole
SYSTEMATIC NAME: 3-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole
MOLECULAR FORMULA: C17H15Cl2N3S
MOLECULAR WEIGHT: 364.2921
SMILES: CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 5316-03-0
CAS Name: 1-[oxo-(1,7-phenanthrolin-6-ylamino)methyl]-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(1,7-phenanthrolin-6-ylcarbamoyl)piperidine-4-carboxylate
IUPAC Name: ethyl 1-(1,7-phenanthrolin-6-ylcarbamoyl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(1,7-phenanthrolin-6-ylcarbamoyl)piperidine-4-carboxylate
MOLECULAR FORMULA: C21H22N4O3
MOLECULAR WEIGHT: 378.42438
SMILES: CCOC(=O)C1CCN(CC1)C(=O)NC2=C3C(=C4C(=C2)C=CC=N4)C=CC=N3
Structure:
CAS RN: 6813-05-4
CAS Name: 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylene-2-(4-methylphenyl)-3-pyrazolidinone
OPENEYE Name: 4-[(2-chloro-5-nitro-anilino)methylene]-5-methylene-2-(p-tolyl)pyrazolidin-3-one
IUPAC Name: 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
SYSTEMATIC NAME: 4-[[(2-chloranyl-5-nitro-phenyl)amino]methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
MOLECULAR FORMULA: C18H15ClN4O3
MOLECULAR WEIGHT: 370.7897
SMILES: CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=C)N2
Structure:
CAS RN: 6390-08-5
CAS Name: N-[1-(5-bromo-2-thiophenyl)ethylideneamino]decanamide
OPENEYE Name: N-[1-(5-bromo-2-thienyl)ethylideneamino]decanamide
IUPAC Name: N-[1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
SYSTEMATIC NAME: N-[1-(5-bromanylthiophen-2-yl)ethylideneamino]decanamide
MOLECULAR FORMULA: C16H25BrN2OS
MOLECULAR WEIGHT: 373.3515
SMILES: CCCCCCCCCC(=O)NN=C(C)C1=CC=C(S1)Br
Structure:
CAS RN: 59440-81-2
CAS Name: 2-[[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[[4-(phenylcarbamothioylamino)benzoyl]amino]acetic acid
IUPAC Name: 2-[[4-(phenylcarbamothioylamino)benzoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[4-(phenylcarbamothioylamino)phenyl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C16H15N3O3S
MOLECULAR WEIGHT: 329.3736
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)NCC(=O)O
Structure:
CAS RN: 5839-47-4
CAS Name: N-[2-(N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-4-methylanilino)-2-oxoethyl]benzamide
OPENEYE Name: N-[2-(N-[1-(cyclopentylcarbamoyl)-1-methyl-propyl]-4-methyl-anilino)-2-oxo-ethyl]benzamide
IUPAC Name: N-[2-(N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-4-methylanilino)-2-oxoethyl]benzamide
SYSTEMATIC NAME: N-[2-[[1-(cyclopentylamino)-2-methyl-1-oxidanylidene-butan-2-yl]-(4-methylphenyl)amino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C26H33N3O3
MOLECULAR WEIGHT: 435.55852
SMILES: CCC(C)(C(=O)NC1CCCC1)N(C2=CC=C(C=C2)C)C(=O)CNC(=O)C3=CC=CC=C3
Structure:
CAS RN: 5114-32-9
CAS Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid
OPENEYE Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
IUPAC Name: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[(3,4-diethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C25H33NO6
MOLECULAR WEIGHT: 443.53262
SMILES: CCOC1=C(C=C(C=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCCC(C3)C(=O)O)OCC
Structure:
CAS RN: 5787-42-8
CAS Name: N-(4-bromophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide
OPENEYE Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide
IUPAC Name: N-(4-bromophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-bromophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C17H15BrN4OS2
MOLECULAR WEIGHT: 435.3612
SMILES: C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CS3
Structure:
CAS RN: 5828-59-1
CAS Name: 3-acetyl-1-(benzenesulfonyl)-4-phenyl-2-pyrrolidinone
OPENEYE Name: 3-acetyl-1-(benzenesulfonyl)-4-phenyl-pyrrolidin-2-one
IUPAC Name: 3-acetyl-1-(benzenesulfonyl)-4-phenylpyrrolidin-2-one
SYSTEMATIC NAME: 3-ethanoyl-4-phenyl-1-(phenylsulfonyl)pyrrolidin-2-one
MOLECULAR FORMULA: C18H17NO4S
MOLECULAR WEIGHT: 343.39688
SMILES: CC(=O)C1C(CN(C1=O)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 6662-18-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H14Br2
MOLECULAR WEIGHT: 366.09036
SMILES: C1CC2=C(C=C(CCC3=C(C=C1C=C3)Br)C=C2)Br
Structure:
CAS RN: 5802-44-8
CAS Name: N-cyclopropyl-N'-(4-pentoxyphenyl)oxamide
OPENEYE Name: N-cyclopropyl-N'-(4-pentoxyphenyl)oxamide
IUPAC Name: N-cyclopropyl-N'-(4-pentoxyphenyl)oxamide
SYSTEMATIC NAME: N-cyclopropyl-N'-(4-pentoxyphenyl)ethanediamide
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: CCCCCOC1=CC=C(C=C1)NC(=O)C(=O)NC2CC2
Structure:
CAS RN: 6446-08-8
CAS Name: 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
OPENEYE Name: 2-[3,5-dichloro-N-(p-tolylsulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
IUPAC Name: 2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: 2-[[3,5-bis(chloranyl)phenyl]-(4-methylphenyl)sulfonyl-amino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C27H22Cl2FN3O5S2
MOLECULAR WEIGHT: 622.515083
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F)C4=CC(=CC(=C4)Cl)Cl
Structure:
CAS RN: 55570-69-9
CAS Name: (8-nitro-2-quinolinyl)hydrazine
OPENEYE Name: (8-nitro-2-quinolyl)hydrazine
IUPAC Name: (8-nitroquinolin-2-yl)hydrazine
SYSTEMATIC NAME: (8-nitroquinolin-2-yl)diazane
MOLECULAR FORMULA: C9H8N4O2
MOLECULAR WEIGHT: 204.18542
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)NN
Structure:
CAS RN: 5201-59-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H53N3O9
MOLECULAR WEIGHT: 671.82072
SMILES: CCNC(=O)OC1=CC2=C(C=C1)OC3(C(CC(=NOCC)C4=CC(C(C2C43)CCCCO)CCCCO)N(C)C(=O)OCC)OCC=C
Structure:
CAS RN: 5198-52-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H56N4O8
MOLECULAR WEIGHT: 744.91604
SMILES: CCCN(C1CC(=NOC2CCCCO2)C3=CC(C(C4C3C1(OC5=C4C=C(C=C5)O)O)CCCCO)CCCCO)C(=O)NCC6=CC7=CC=CC=C7N6
Structure:
CAS RN: 5564-44-3
CAS Name: 3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
OPENEYE Name: 3-[2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]-5,5-diphenyl-imidazolidine-2,4-dione
IUPAC Name: 3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
SYSTEMATIC NAME: 3-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]-5,5-diphenyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C24H19ClN2O3
MOLECULAR WEIGHT: 418.87226
SMILES: CC(C(=O)C1=CC(=CC=C1)Cl)N2C(=O)C(NC2=O)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 6041-49-2
CAS Name: N-(2-methoxyethyl)-N-[2-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl-(phenylmethyl)amino]-2-oxoethyl]-1-adamantanecarboxamide
OPENEYE Name: N-[2-[benzyl-[(6-methyl-4-oxo-chromen-3-yl)methyl]amino]-2-oxo-ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
IUPAC Name: N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
SYSTEMATIC NAME: N-(2-methoxyethyl)-N-[2-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide
MOLECULAR FORMULA: C34H40N2O5
MOLECULAR WEIGHT: 556.6918
SMILES: CC1=CC2=C(C=C1)OC=C(C2=O)CN(CC3=CC=CC=C3)C(=O)CN(CCOC)C(=O)C45CC6CC(C4)CC(C6)C5
Structure:
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