CAS RN: 6415-28-7
CAS Name: N-cyclopropyl-2-(phenylthio)propanamide
OPENEYE Name: N-cyclopropyl-2-phenylsulfanyl-propanamide
IUPAC Name: N-cyclopropyl-2-phenylsulfanylpropanamide
SYSTEMATIC NAME: N-cyclopropyl-2-phenylsulfanyl-propanamide
MOLECULAR FORMULA: C12H15NOS
MOLECULAR WEIGHT: 221.3186
SMILES: CC(C(=O)NC1CC1)SC2=CC=CC=C2
Structure:
CAS RN: 6405-13-6
CAS Name: 3-chloro-N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]benzamide
OPENEYE Name: 3-chloro-N-[[4-(diethylamino)phenyl]carbamothioyl]benzamide
IUPAC Name: 3-chloro-N-[[4-(diethylamino)phenyl]carbamothioyl]benzamide
SYSTEMATIC NAME: 3-chloranyl-N-[[4-(diethylamino)phenyl]carbamothioyl]benzamide
MOLECULAR FORMULA: C18H20ClN3OS
MOLECULAR WEIGHT: 361.8889
SMILES: CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 6403-91-4
CAS Name: 2-iodo-N-[(4-methylanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: 2-iodo-N-(p-tolylcarbamothioyl)benzamide
IUPAC Name: 2-iodo-N-[(4-methylphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: 2-iodanyl-N-[(4-methylphenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C15H13IN2OS
MOLECULAR WEIGHT: 396.24599
SMILES: CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2I
Structure:
CAS RN: 6402-60-4
CAS Name: 2-[(4-chlorophenyl)thio]-N-(4-fluorophenyl)propanamide
OPENEYE Name: 2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)propanamide
IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)propanamide
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)propanamide
MOLECULAR FORMULA: C15H13ClFNOS
MOLECULAR WEIGHT: 309.786223
SMILES: CC(C(=O)NC1=CC=C(C=C1)F)SC2=CC=C(C=C2)Cl
Structure:
CAS RN: 6401-56-5
CAS Name: 5-(4-methylphenyl)-3-[(phenylmethyl)amino]-1-cyclohex-2-enone
OPENEYE Name: 3-(benzylamino)-5-(p-tolyl)cyclohex-2-en-1-one
IUPAC Name: 3-(benzylamino)-5-(4-methylphenyl)cyclohex-2-en-1-one
SYSTEMATIC NAME: 5-(4-methylphenyl)-3-[(phenylmethyl)amino]cyclohex-2-en-1-one
MOLECULAR FORMULA: C20H21NO
MOLECULAR WEIGHT: 291.38684
SMILES: CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC3=CC=CC=C3
Structure:
CAS RN: 6398-10-3
CAS Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-nitrophenyl)benzamide
OPENEYE Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-nitrophenyl)benzamide
IUPAC Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-nitrophenyl)benzamide
SYSTEMATIC NAME: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-nitrophenyl)benzamide
MOLECULAR FORMULA: C21H17ClN2O5
MOLECULAR WEIGHT: 412.82308
SMILES: COC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])OCC3=CC=C(C=C3)Cl
Structure:
CAS RN: 6397-63-3
CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide
OPENEYE Name: N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-N-(2-ethylphenyl)methanesulfonamide
IUPAC Name: N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide
SYSTEMATIC NAME: N-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-ethylphenyl)methanesulfonamide
MOLECULAR FORMULA: C28H33N3O3S
MOLECULAR WEIGHT: 491.64492
SMILES: CCC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C
Structure:
CAS RN: 6395-69-3
CAS Name: 3-bromo-N-[(4-nitroanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: 3-bromo-N-[(4-nitrophenyl)carbamothioyl]benzamide
IUPAC Name: 3-bromo-N-[(4-nitrophenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: 3-bromanyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C14H10BrN3O3S
MOLECULAR WEIGHT: 380.2165
SMILES: C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 6388-25-6
CAS Name: N-(3-bicyclo[2.2.1]heptanyl)-2-methylbenzamide
OPENEYE Name: 2-methyl-N-norbornan-2-yl-benzamide
IUPAC Name: N-(3-bicyclo[2.2.1]heptanyl)-2-methylbenzamide
SYSTEMATIC NAME: N-(3-bicyclo[2.2.1]heptanyl)-2-methyl-benzamide
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: CC1=CC=CC=C1C(=O)NC2CC3CCC2C3
Structure:
CAS RN: 6388-15-4
CAS Name: 3-bromo-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: 3-bromo-N-[(2-nitrophenyl)carbamothioyl]benzamide
IUPAC Name: 3-bromo-N-[(2-nitrophenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: 3-bromanyl-N-[(2-nitrophenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C14H10BrN3O3S
MOLECULAR WEIGHT: 380.2165
SMILES: C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Br)[N+](=O)[O-]
Structure:
CAS RN: 436099-61-5
CAS Name: 1-(2,3-dimethyl-1-indolyl)-3-(2-furanylmethylamino)-2-propanol
OPENEYE Name: 1-(2,3-dimethylindol-1-yl)-3-(2-furylmethylamino)propan-2-ol
IUPAC Name: 1-(2,3-dimethylindol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
SYSTEMATIC NAME: 1-(2,3-dimethylindol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: CC1=C(N(C2=CC=CC=C12)CC(CNCC3=CC=CO3)O)C
Structure:
CAS RN: 6384-54-9
CAS Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone
OPENEYE Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone
IUPAC Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone
SYSTEMATIC NAME: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-dimethoxyphenyl)ethanone
MOLECULAR FORMULA: C27H28N2O7
MOLECULAR WEIGHT: 492.52042
SMILES: COC1=C(C=C(C=C1)CC(=O)N2CCC3=CC(=C(C=C3C2C4=CC(=CC=C4)[N+](=O)[O-])OC)OC)OC
Structure:
CAS RN: 78721-53-6
CAS Name: 4-methyl-N-(4-nitrophenyl)-1-piperazinecarbothioamide
OPENEYE Name: 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
IUPAC Name: 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C12H16N4O2S
MOLECULAR WEIGHT: 280.34604
SMILES: CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 4200-01-5
CAS Name: 5-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C20H19NO3S2
MOLECULAR WEIGHT: 385.49976
SMILES: CC1=CC(=C(C=C1)C)OCCOC2=CC=C(C=C2)C=C3C(=O)NC(=S)S3
Structure:
CAS RN: 6380-94-5
CAS Name: 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 6-(4-hydroxy-3-nitro-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
IUPAC Name: methyl 6-(4-hydroxy-3-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 3,4-dimethyl-6-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C14H15N3O6
MOLECULAR WEIGHT: 321.2854
SMILES: CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 6380-31-0
CAS Name: 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C16H19ClN2O5
MOLECULAR WEIGHT: 354.78546
SMILES: CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)Cl)O
Structure:
CAS RN: 6380-19-4
CAS Name: 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
OPENEYE Name: 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[(4-fluorophenyl)methyl]propanamide
MOLECULAR FORMULA: C16H14Cl2FNO2
MOLECULAR WEIGHT: 342.192263
SMILES: CC(C(=O)NCC1=CC=C(C=C1)F)OC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 6379-92-6
CAS Name: 4-methylbenzoic acid [1-(butylthio)-3-propan-2-yloxypropan-2-yl] ester
OPENEYE Name: [1-(butylsulfanylmethyl)-2-isopropoxy-ethyl] 4-methylbenzoate
IUPAC Name: (1-butylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-methylbenzoate
SYSTEMATIC NAME: (1-butylsulfanyl-3-propan-2-yloxy-propan-2-yl) 4-methylbenzoate
MOLECULAR FORMULA: C18H28O3S
MOLECULAR WEIGHT: 324.47812
SMILES: CCCCSCC(COC(C)C)OC(=O)C1=CC=C(C=C1)C
Structure:
CAS RN: 6379-85-7
CAS Name: 3-(methylthio)-6-(2,4,6-trimethylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
OPENEYE Name: 3-methylsulfanyl-6-(2,4,6-trimethylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
IUPAC Name: 3-methylsulfanyl-6-(2,4,6-trimethylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SYSTEMATIC NAME: 3-methylsulfanyl-6-(2,4,6-trimethylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
MOLECULAR FORMULA: C20H20N4OS
MOLECULAR WEIGHT: 364.464
SMILES: CC1=CC(=C(C(=C1)C)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C
Structure:
CAS RN: 6379-58-4
CAS Name: N-(4-acetylphenyl)-2-(2,4-dichlorophenoxy)propanamide
OPENEYE Name: N-(4-acetylphenyl)-2-(2,4-dichlorophenoxy)propanamide
IUPAC Name: N-(4-acetylphenyl)-2-(2,4-dichlorophenoxy)propanamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-(4-ethanoylphenyl)propanamide
MOLECULAR FORMULA: C17H15Cl2NO3
MOLECULAR WEIGHT: 352.2119
SMILES: CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 6378-40-1
CAS Name: 5-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C21H20N2O4S
MOLECULAR WEIGHT: 396.4595
SMILES: CC1=CC(=C(C=C1)C)OCCOC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O
Structure:
CAS RN: 6378-18-3
CAS Name: 4-[3-[(2-chlorophenyl)methylthio]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenol
OPENEYE Name: 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxy-phenol
IUPAC Name: 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenol
SYSTEMATIC NAME: 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxy-phenol
MOLECULAR FORMULA: C25H21ClN4O3S
MOLECULAR WEIGHT: 492.97724
SMILES: CCOC1=C(C=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5Cl)O
Structure:
CAS RN: 6377-26-0
CAS Name: 5-[3-(ethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
OPENEYE Name: 5-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxy-phenol
IUPAC Name: 5-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxyphenol
SYSTEMATIC NAME: 5-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxy-phenol
MOLECULAR FORMULA: C19H18N4O3S
MOLECULAR WEIGHT: 382.43622
SMILES: CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)OC)O)N=N1
Structure:
CAS RN: 6377-21-5
CAS Name: (5Z)-2-amino-5-[1-[(2-chlorophenyl)methyl]-2-oxo-3-indolylidene]-4-thiazolone
OPENEYE Name: (5Z)-2-amino-5-[1-[(2-chlorophenyl)methyl]-2-oxo-indolin-3-ylidene]thiazol-4-one
IUPAC Name: (5Z)-2-amino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazol-4-one
SYSTEMATIC NAME: (5Z)-2-azanyl-5-[1-[(2-chlorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]-1,3-thiazol-4-one
MOLECULAR FORMULA: C18H12ClN3O2S
MOLECULAR WEIGHT: 369.82478
SMILES: C1=CC=C(C(=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N=C(S4)N)/C2=O)Cl
Structure:
CAS RN: 6377-03-3
CAS Name: 4-(2-chloro-4,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 4-(2-chloro-4,5-dimethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: methyl 4-(2-chloro-4,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 4-(2-chloranyl-4,5-dimethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C15H17ClN2O4S
MOLECULAR WEIGHT: 356.82448
SMILES: CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Cl)OC)OC)C(=O)OC
Structure:
CAS RN: 6376-83-6
CAS Name: 1-(4-fluorophenyl)-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
OPENEYE Name: 1-[5-[(2-allylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
IUPAC Name: 1-(4-fluorophenyl)-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
MOLECULAR FORMULA: C19H17FN4O2S
MOLECULAR WEIGHT: 384.427283
SMILES: C=CCC1=CC=CC=C1OCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F
Structure:
CAS RN: 6376-62-1
CAS Name: 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 4-(4-tert-butylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: methyl 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C17H22N2O2S
MOLECULAR WEIGHT: 318.43378
SMILES: CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC
Structure:
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