CAS RN: 4104-75-0
CAS Name: 1-methyl-1-phenylthiourea
OPENEYE Name: 1-methyl-1-phenyl-thiourea
IUPAC Name: 1-methyl-1-phenylthiourea
SYSTEMATIC NAME: 1-methyl-1-phenyl-thiourea
MOLECULAR FORMULA: C8H10N2S
MOLECULAR WEIGHT: 166.2434
SMILES: CN(C1=CC=CC=C1)C(=S)N
Structure:
CAS RN: 64954-05-8
CAS Name: 1-(4-nitrophenyl)sulfonylpiperidine
OPENEYE Name: 1-(4-nitrophenyl)sulfonylpiperidine
IUPAC Name: 1-(4-nitrophenyl)sulfonylpiperidine
SYSTEMATIC NAME: 1-(4-nitrophenyl)sulfonylpiperidine
MOLECULAR FORMULA: C11H14N2O4S
MOLECULAR WEIGHT: 270.30486
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 135632-53-0
CAS Name: N-(4-piperidinylmethyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(4-piperidylmethyl)carbamate
IUPAC Name: tert-butyl N-(piperidin-4-ylmethyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(piperidin-4-ylmethyl)carbamate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC(C)(C)OC(=O)NCC1CCNCC1
Structure:
CAS RN: 18980-05-7
CAS Name: [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
OPENEYE Name: [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
IUPAC Name: [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SYSTEMATIC NAME: [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C1[C@@H](NCC2=CC=CC=C21)CO
Structure:
CAS RN: 19050-62-5
CAS Name: 2-amino-N-(2-phenylethyl)benzamide
OPENEYE Name: 2-amino-N-(2-phenylethyl)benzamide
IUPAC Name: 2-amino-N-(2-phenylethyl)benzamide
SYSTEMATIC NAME: 2-azanyl-N-(2-phenylethyl)benzamide
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2N
Structure:
CAS RN: 6208-60-2
CAS Name: 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
OPENEYE Name: 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
IUPAC Name: 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SYSTEMATIC NAME: 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
MOLECULAR FORMULA: C11H12N2
MOLECULAR WEIGHT: 172.22638
SMILES: C1CNCC2=C1NC3=CC=CC=C23
Structure:
CAS RN: 38693-08-2
CAS Name: 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone
OPENEYE Name: 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone
IUPAC Name: 2-chloro-1-(2-methyl-1H-indol-3-yl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(2-methyl-1H-indol-3-yl)ethanone
MOLECULAR FORMULA: C11H10ClNO
MOLECULAR WEIGHT: 207.6562
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)CCl
Structure:
CAS RN: 175203-85-7
CAS Name: 4-oxo-6-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-oxo-6-(trifluoromethoxy)-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 4-oxo-6-(trifluoromethoxy)-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-6-(trifluoromethyloxy)-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C13H10F3NO4
MOLECULAR WEIGHT: 301.21801
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)OC(F)(F)F
Structure:
CAS RN: 92628-88-1
CAS Name: 2-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]acetic acid
OPENEYE Name: 2-(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylacetic acid
IUPAC Name: 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylethanoic acid
MOLECULAR FORMULA: C11H15N3O3S
MOLECULAR WEIGHT: 269.3201
SMILES: CC1=CC(=NC(=N1)SCC(=O)O)N2CCOCC2
Structure:
CAS RN: 38901-29-0
CAS Name: 1-amino-3-[2-(trifluoromethyl)phenyl]thiourea
OPENEYE Name: 1-amino-3-[2-(trifluoromethyl)phenyl]thiourea
IUPAC Name: 1-amino-3-[2-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-azanyl-3-[2-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C8H8F3N3S
MOLECULAR WEIGHT: 235.22943
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NN
Structure:
CAS RN: 441-28-1
CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid
OPENEYE Name: 2-(4-fluorophenyl)quinoline-4-carboxylic acid
IUPAC Name: 2-(4-fluorophenyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(4-fluorophenyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H10FNO2
MOLECULAR WEIGHT: 267.254503
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)O
Structure:
CAS RN: 6629-52-3
CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-methylphenyl)methanone
OPENEYE Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(p-tolyl)methanone
IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methylphenyl)methanone
SYSTEMATIC NAME: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methylphenyl)methanone
MOLECULAR FORMULA: C20H22N2O3
MOLECULAR WEIGHT: 338.40028
SMILES: CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 96860-19-4
CAS Name: 1-amino-3-(2-furanylmethyl)thiourea
OPENEYE Name: 1-amino-3-(2-furylmethyl)thiourea
IUPAC Name: 1-amino-3-(furan-2-ylmethyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(furan-2-ylmethyl)thiourea
MOLECULAR FORMULA: C6H9N3OS
MOLECULAR WEIGHT: 171.22016
SMILES: C1=COC(=C1)CNC(=S)NN
Structure:
CAS RN: 5671-21-6
CAS Name: 2-amino-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OPENEYE Name: 2-amino-N-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
IUPAC Name: 2-amino-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 2-azanyl-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N
Structure:
CAS RN: 622-52-6
CAS Name: (4-methylphenyl)thiourea
OPENEYE Name: p-tolylthiourea
IUPAC Name: (4-methylphenyl)thiourea
SYSTEMATIC NAME: 1-(4-methylphenyl)thiourea
MOLECULAR FORMULA: C8H10N2S
MOLECULAR WEIGHT: 166.2434
SMILES: CC1=CC=C(C=C1)NC(=S)N
Structure:
CAS RN: 21198-18-5
CAS Name: 1-amino-3-cyclohexylthiourea
OPENEYE Name: 1-amino-3-cyclohexyl-thiourea
IUPAC Name: 1-amino-3-cyclohexylthiourea
SYSTEMATIC NAME: 1-azanyl-3-cyclohexyl-thiourea
MOLECULAR FORMULA: C7H15N3S
MOLECULAR WEIGHT: 173.2791
SMILES: C1CCC(CC1)NC(=S)NN
Structure:
CAS RN: 6590-91-6
CAS Name: (2,6-dichlorophenyl)thiourea
OPENEYE Name: (2,6-dichlorophenyl)thiourea
IUPAC Name: (2,6-dichlorophenyl)thiourea
SYSTEMATIC NAME: 1-[2,6-bis(chloranyl)phenyl]thiourea
MOLECULAR FORMULA: C7H6Cl2N2S
MOLECULAR WEIGHT: 221.10694
SMILES: C1=CC(=C(C(=C1)Cl)NC(=S)N)Cl
Structure:
CAS RN: 1516-37-6
CAS Name: (2-methoxyphenyl)thiourea
OPENEYE Name: (2-methoxyphenyl)thiourea
IUPAC Name: (2-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1-(2-methoxyphenyl)thiourea
MOLECULAR FORMULA: C8H10N2OS
MOLECULAR WEIGHT: 182.2428
SMILES: COC1=CC=CC=C1NC(=S)N
Structure:
CAS RN: 7253-52-3
CAS Name: (5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-5-[(4-methoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C11H10N2O2S
MOLECULAR WEIGHT: 234.2743
SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)N2
Structure:
CAS RN: 73262-04-1
CAS Name: (5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-5-[(4-methoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C11H10N2O2S
MOLECULAR WEIGHT: 234.2743
SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)N2
Structure:
CAS RN: 303798-10-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H10N4S
MOLECULAR WEIGHT: 206.2675
SMILES: C1CC2=C(C1)SC3=NC=NC(=C23)NN
Structure:
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