CAS RN: 24486-01-9
CAS Name: 3-(4-chlorophenyl)-1,1-diethylthiourea
OPENEYE Name: 3-(4-chlorophenyl)-1,1-diethyl-thiourea
IUPAC Name: 3-(4-chlorophenyl)-1,1-diethylthiourea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1,1-diethyl-thiourea
MOLECULAR FORMULA: C11H15ClN2S
MOLECULAR WEIGHT: 242.7682
SMILES: CCN(CC)C(=S)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 5896-12-8
CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-N-(3-methoxypropyl)-2-(1-pyrrolidinyl)benzamide
OPENEYE Name: 5-(2,2-dimethylpropanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-yl-benzamide
IUPAC Name: 5-(2,2-dimethylpropanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
SYSTEMATIC NAME: 5-(2,2-dimethylpropanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-yl-benzamide
MOLECULAR FORMULA: C20H31N3O3
MOLECULAR WEIGHT: 361.47844
SMILES: CC(C)(C)C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCCOC
Structure:
CAS RN: 5725-69-9
CAS Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]thio]-N-(5-chloro-2-methylphenyl)acetamide
OPENEYE Name: 2-[[5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methyl-phenyl)acetamide
IUPAC Name: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-chloranyl-2-methyl-phenyl)ethanamide
MOLECULAR FORMULA: C19H13Cl2N3O2S2
MOLECULAR WEIGHT: 450.36142
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl
Structure:
CAS RN: 5962-65-2
CAS Name: 4-fluorobenzenesulfonic acid [4-[[butan-2-yl-[cyclopropyl(oxo)methyl]amino]methyl]phenyl] ester
OPENEYE Name: [4-[[cyclopropanecarbonyl(sec-butyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
IUPAC Name: [4-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
SYSTEMATIC NAME: [4-[[butan-2-yl(cyclopropylcarbonyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate
MOLECULAR FORMULA: C21H24FNO4S
MOLECULAR WEIGHT: 405.482963
SMILES: CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3CC3
Structure:
CAS RN: 5913-71-3
CAS Name: 3-(3,5-dimethoxyphenyl)-2-[4-[[4-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methyl-2-phenyl-3-pyrazolyl]oxy]phenyl]-N,N-dimethyl-2-propenamide
OPENEYE Name: 3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-(3-methoxypropylamino)-3-oxo-propyl]-5-methyl-2-phenyl-pyrazol-3-yl]oxyphenyl]-N,N-dimethyl-prop-2-enamide
IUPAC Name: 3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methyl-2-phenylpyrazol-3-yl]oxyphenyl]-N,N-dimethylprop-2-enamide
SYSTEMATIC NAME: 3-(3,5-dimethoxyphenyl)-2-[4-[4-[3-(3-methoxypropylamino)-3-oxidanylidene-propyl]-5-methyl-2-phenyl-pyrazol-3-yl]oxyphenyl]-N,N-dimethyl-prop-2-enamide
MOLECULAR FORMULA: C36H42N4O6
MOLECULAR WEIGHT: 626.74188
SMILES: CC1=NN(C(=C1CCC(=O)NCCCOC)OC2=CC=C(C=C2)C(=CC3=CC(=CC(=C3)OC)OC)C(=O)N(C)C)C4=CC=CC=C4
Structure:
CAS RN: 5913-10-0
CAS Name: methanesulfonic acid [4-[[3-methoxypropyl(1-oxononyl)amino]methyl]phenyl] ester
OPENEYE Name: [4-[[3-methoxypropyl(nonanoyl)amino]methyl]phenyl] methanesulfonate
IUPAC Name: [4-[[3-methoxypropyl(nonanoyl)amino]methyl]phenyl] methanesulfonate
SYSTEMATIC NAME: [4-[[3-methoxypropyl(nonanoyl)amino]methyl]phenyl] methanesulfonate
MOLECULAR FORMULA: C21H35NO5S
MOLECULAR WEIGHT: 413.5713
SMILES: CCCCCCCCC(=O)N(CCCOC)CC1=CC=C(C=C1)OS(=O)(=O)C
Structure:
CAS RN: 5909-42-2
CAS Name: N-[2-[2-methoxyethyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
OPENEYE Name: N-isopropyl-N-[2-[2-methoxyethyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]-2-methyl-propanamide
IUPAC Name: N-[2-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
SYSTEMATIC NAME: N-[2-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-2-methyl-N-propan-2-yl-propanamide
MOLECULAR FORMULA: C18H30N2O4
MOLECULAR WEIGHT: 338.4418
SMILES: CC1=CC=C(O1)CN(CCOC)C(=O)CN(C(C)C)C(=O)C(C)C
Structure:
CAS RN: 5816-82-0
CAS Name: N-(2,4-dichlorophenoxy)sulfonylcarbamic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl ester
OPENEYE Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl N-(2,4-dichlorophenoxy)sulfonylcarbamate
IUPAC Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl N-(2,4-dichlorophenoxy)sulfonylcarbamate
SYSTEMATIC NAME: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl N-[2,4-bis(chloranyl)phenoxy]sulfonylcarbamate
MOLECULAR FORMULA: C17H22Cl2N2O5S
MOLECULAR WEIGHT: 437.33798
SMILES: C1CCN2CCCC(C2C1)COC(=O)NS(=O)(=O)OC3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 5007-28-3
CAS Name: 3-[1-piperazinyl(pyridin-4-yl)methyl]quinoline
OPENEYE Name: 3-[piperazin-1-yl(4-pyridyl)methyl]quinoline
IUPAC Name: 3-[piperazin-1-yl(pyridin-4-yl)methyl]quinoline
SYSTEMATIC NAME: 3-[piperazin-1-yl(pyridin-4-yl)methyl]quinoline
MOLECULAR FORMULA: C19H20N4
MOLECULAR WEIGHT: 304.3889
SMILES: C1CN(CCN1)C(C2=CC=NC=C2)C3=CC4=CC=CC=C4N=C3
Structure:
CAS RN: 90565-96-1
CAS Name: 5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-isopentyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C9H14N2O2S
MOLECULAR WEIGHT: 214.28466
SMILES: CC(C)CCC1C(=O)NC(=S)NC1=O
Structure:
CAS RN: 7151-60-2
CAS Name: N-(3-chloro-7-nitro-9-oxo-2-fluorenyl)acetamide
OPENEYE Name: N-(3-chloro-7-nitro-9-oxo-fluoren-2-yl)acetamide
IUPAC Name: N-(3-chloro-7-nitro-9-oxofluoren-2-yl)acetamide
SYSTEMATIC NAME: N-(3-chloranyl-7-nitro-9-oxidanylidene-fluoren-2-yl)ethanamide
MOLECULAR FORMULA: C15H9ClN2O4
MOLECULAR WEIGHT: 316.69596
SMILES: CC(=O)NC1=C(C=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=C1)Cl
Structure:
CAS RN: 5593-57-7
CAS Name: 3-[(3-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3-[(3-fluorophenyl)methyleneamino]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 3-[(3-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-[(3-fluorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C17H14FN3OS
MOLECULAR WEIGHT: 327.375963
SMILES: C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC(=CC=C4)F
Structure:
CAS RN: 5590-51-2
CAS Name: N-(4-chlorophenyl)carbamic acid [(4-bromo-2,3-dihydrocyclopenta[b]naphthalen-1-ylidene)amino] ester
OPENEYE Name: [(4-bromo-2,3-dihydrocyclopenta[b]naphthalen-1-ylidene)amino] N-(4-chlorophenyl)carbamate
IUPAC Name: [(4-bromo-2,3-dihydrocyclopenta[b]naphthalen-1-ylidene)amino] N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [(4-bromanyl-2,3-dihydrocyclopenta[b]naphthalen-1-ylidene)amino] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C20H14BrClN2O2
MOLECULAR WEIGHT: 429.69436
SMILES: C1CC(=NOC(=O)NC2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4C(=C31)Br
Structure:
CAS RN: 5125-74-6
CAS Name: 1-[(3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[(3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(3,5-dimethylphenyl)-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C21H25NO3
MOLECULAR WEIGHT: 339.4281
SMILES: CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)OC)N3CCCC3C(=O)O)C
Structure:
CAS RN: 5664-80-2
CAS Name: 2-(2,4-dichlorophenoxy)-N-[[1-(1-piperidinyl)cyclohexyl]methyl]acetamide
OPENEYE Name: 2-(2,4-dichlorophenoxy)-N-[[1-(1-piperidyl)cyclohexyl]methyl]acetamide
IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamide
MOLECULAR FORMULA: C20H28Cl2N2O2
MOLECULAR WEIGHT: 399.35452
SMILES: C1CCC(CC1)(CNC(=O)COC2=C(C=C(C=C2)Cl)Cl)N3CCCCC3
Structure:
CAS RN: 5647-47-2
CAS Name: 2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
OPENEYE Name: 2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid
IUPAC Name: 2-tert-butyl-4-[[4-(difluoromethoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SYSTEMATIC NAME: 4-[[4-[bis(fluoranyl)methoxy]phenyl]methylidene]-2-tert-butyl-2,3-dihydro-1H-acridine-9-carboxylic acid
MOLECULAR FORMULA: C26H25F2NO3
MOLECULAR WEIGHT: 437.478406
SMILES: CC(C)(C)C1CC(=CC2=CC=C(C=C2)OC(F)F)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
Structure:
CAS RN: 5535-57-9
CAS Name: benzoic acid [4-(2-cyano-3-oxo-3-phenylprop-1-enyl)phenyl] ester
OPENEYE Name: [4-(2-cyano-3-oxo-3-phenyl-prop-1-enyl)phenyl] benzoate
IUPAC Name: [4-(2-cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate
SYSTEMATIC NAME: [4-(2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl)phenyl] benzoate
MOLECULAR FORMULA: C23H15NO3
MOLECULAR WEIGHT: 353.3701
SMILES: C1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C#N
Structure:
CAS RN: 5521-20-0
CAS Name: N-(3-methoxyphenyl)-1-(3-methylcyclohexyl)-4-piperidinamine
OPENEYE Name: N-(3-methoxyphenyl)-1-(3-methylcyclohexyl)piperidin-4-amine
IUPAC Name: N-(3-methoxyphenyl)-1-(3-methylcyclohexyl)piperidin-4-amine
SYSTEMATIC NAME: N-(3-methoxyphenyl)-1-(3-methylcyclohexyl)piperidin-4-amine
MOLECULAR FORMULA: C19H30N2O
MOLECULAR WEIGHT: 302.4543
SMILES: CC1CCCC(C1)N2CCC(CC2)NC3=CC(=CC=C3)OC
Structure:
CAS RN: 5295-06-7
CAS Name: 6-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-phenyl-4,5-dihydropyridazin-3-one
OPENEYE Name: 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
IUPAC Name: 6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
SYSTEMATIC NAME: 6-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-2-phenyl-4,5-dihydropyridazin-3-one
MOLECULAR FORMULA: C22H24N4O3
MOLECULAR WEIGHT: 392.45096
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4
Structure:
CAS RN: 5981-47-5
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N-methyl-5-phenyl-3-pyrazolecarboxamide
OPENEYE Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N-methyl-5-phenyl-pyrazole-3-carboxamide
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N-methyl-5-phenyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C28H29N3O4
MOLECULAR WEIGHT: 471.54756
SMILES: CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=NN2C3=CC=C(C=C3)OC)C4=CC=CC=C4
Structure:
CAS RN: 5517-52-2
CAS Name: [4-(3-chloro-2-methylanilino)-1-piperidinyl]-(2-furanyl)methanone
OPENEYE Name: [4-(3-chloro-2-methyl-anilino)-1-piperidyl]-(2-furyl)methanone
IUPAC Name: [4-(3-chloro-2-methylanilino)piperidin-1-yl]-(furan-2-yl)methanone
SYSTEMATIC NAME: [4-[(3-chloranyl-2-methyl-phenyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
MOLECULAR FORMULA: C17H19ClN2O2
MOLECULAR WEIGHT: 318.79796
SMILES: CC1=C(C=CC=C1Cl)NC2CCN(CC2)C(=O)C3=CC=CO3
Structure:
CAS RN: 5423-13-2
CAS Name: 3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid (4-bromophenyl)methyl ester
OPENEYE Name: (4-bromophenyl)methyl 3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate
IUPAC Name: (4-bromophenyl)methyl 3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate
SYSTEMATIC NAME: (4-bromophenyl)methyl 3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate
MOLECULAR FORMULA: C22H26BrN3O7S
MOLECULAR WEIGHT: 556.42674
SMILES: CC(C)C(C(=O)OCC1=CC=C(C=C1)Br)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]
Structure:
CAS RN: 5869-54-5
CAS Name: 1-(4-bromophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)-3-piperidinecarboxamide
OPENEYE Name: 1-(4-bromophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
IUPAC Name: 1-(4-bromophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
SYSTEMATIC NAME: 1-(4-bromophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C20H23BrN2O5S
MOLECULAR WEIGHT: 483.37602
SMILES: COC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br)OC
Structure:
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