CAS RN: 5744-88-7
CAS Name: 2-[[2-[(2-bromo-5-methoxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-(2-bromo-5-methoxy-benzoyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-[[2-(2-bromo-5-methoxybenzoyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-(2-bromanyl-5-methoxy-phenyl)carbonyloxyethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C20H20BrNO6S
MOLECULAR WEIGHT: 482.3449
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)OC)Br
Structure:
CAS RN: 5744-27-4
CAS Name: N-(diphenylmethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide
OPENEYE Name: N-benzhydryl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
IUPAC Name: N-benzhydryl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(diphenylmethyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C25H24N4OS
MOLECULAR WEIGHT: 428.54926
SMILES: CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5741-82-2
CAS Name: 3-(dimethylamino)benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester
OPENEYE Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-(dimethylamino)benzoate
IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-(dimethylamino)benzoate
SYSTEMATIC NAME: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(dimethylamino)benzoate
MOLECULAR FORMULA: C20H19NO5
MOLECULAR WEIGHT: 353.36856
SMILES: CN(C)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC
Structure:
CAS RN: 4678-27-7
CAS Name: 6-chloro-2-(3-pyridinylmethylidene)-3H-inden-1-one
OPENEYE Name: 6-chloro-2-(3-pyridylmethylene)indan-1-one
IUPAC Name: 6-chloro-2-(pyridin-3-ylmethylidene)-3H-inden-1-one
SYSTEMATIC NAME: 6-chloranyl-2-(pyridin-3-ylmethylidene)-3H-inden-1-one
MOLECULAR FORMULA: C15H10ClNO
MOLECULAR WEIGHT: 255.699
SMILES: C1C2=C(C=C(C=C2)Cl)C(=O)C1=CC3=CN=CC=C3
Structure:
CAS RN: 4675-82-5
CAS Name: 5-chloro-1,2-dimethyl-3-(nonoxymethyl)benzimidazol-1-ium
OPENEYE Name: 5-chloro-1,2-dimethyl-3-(nonoxymethyl)benzimidazol-1-ium
IUPAC Name: 5-chloro-1,2-dimethyl-3-(nonoxymethyl)benzimidazol-1-ium
SYSTEMATIC NAME: 5-chloranyl-1,2-dimethyl-3-(nonoxymethyl)benzimidazol-1-ium
MOLECULAR FORMULA: C19H30ClN2O+
MOLECULAR WEIGHT: 337.9073
SMILES: CCCCCCCCCOCN1C(=[N+](C2=C1C=C(C=C2)Cl)C)C
Structure:
CAS RN: 4675-21-2
CAS Name: 1-(4-oxo-2-sulfanylidene-3-thiazolidinyl)-3-phenylthiourea
OPENEYE Name: 1-(4-oxo-2-thioxo-thiazolidin-3-yl)-3-phenyl-thiourea
IUPAC Name: 1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)-3-phenyl-thiourea
MOLECULAR FORMULA: C10H9N3OS3
MOLECULAR WEIGHT: 283.39296
SMILES: C1C(=O)N(C(=S)S1)NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 6598-25-0
CAS Name: N-[3-[(4-bromophenyl)sulfamoyl]phenyl]cyclohexanecarboxamide
OPENEYE Name: N-[3-[(4-bromophenyl)sulfamoyl]phenyl]cyclohexanecarboxamide
IUPAC Name: N-[3-[(4-bromophenyl)sulfamoyl]phenyl]cyclohexanecarboxamide
SYSTEMATIC NAME: N-[3-[(4-bromophenyl)sulfamoyl]phenyl]cyclohexanecarboxamide
MOLECULAR FORMULA: C19H21BrN2O3S
MOLECULAR WEIGHT: 437.35064
SMILES: C1CCC(CC1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br
Structure:
CAS RN: 6117-03-9
CAS Name: 4-[[3-amino-5-(4-morpholinyl)-2-oxo-3H-thiophen-4-yl]amino]benzenesulfonamide
OPENEYE Name: 4-[(3-amino-5-morpholino-2-oxo-3H-thiophen-4-yl)amino]benzenesulfonamide
IUPAC Name: 4-[(3-amino-5-morpholin-4-yl-2-oxo-3H-thiophen-4-yl)amino]benzenesulfonamide
SYSTEMATIC NAME: 4-[(3-azanyl-5-morpholin-4-yl-2-oxidanylidene-3H-thiophen-4-yl)amino]benzenesulfonamide
MOLECULAR FORMULA: C14H18N4O4S2
MOLECULAR WEIGHT: 370.44712
SMILES: C1COCCN1C2=C(C(C(=O)S2)N)NC3=CC=C(C=C3)S(=O)(=O)N
Structure:
CAS RN: 68862-61-3
CAS Name: acetic acid [17-[1-[[butylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-[N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [17-[N-(butylcarbamothioylamino)-C-methylcarbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [17-[N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C28H43N3O2S
MOLECULAR WEIGHT: 485.72492
SMILES: CCCCNC(=S)NN=C(C)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
Structure:
CAS RN: 6499-64-5
CAS Name: 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]-2-propenenitrile
OPENEYE Name: 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enenitrile
IUPAC Name: 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enenitrile
SYSTEMATIC NAME: 2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[[4-(2-hydroxyethylsulfonyl)phenyl]amino]prop-2-enenitrile
MOLECULAR FORMULA: C18H14ClN3O4S
MOLECULAR WEIGHT: 403.83946
SMILES: C1=CC(=CC=C1NC=C(C#N)C2=NC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)CCO
Structure:
CAS RN: 6387-83-3
CAS Name: 2-(2,4-dichlorophenyl)-N-(2-furanylmethyl)-3-methyl-4-quinolinecarboxamide
OPENEYE Name: 2-(2,4-dichlorophenyl)-N-(2-furylmethyl)-3-methyl-quinoline-4-carboxamide
IUPAC Name: 2-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-3-methylquinoline-4-carboxamide
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-3-methyl-quinoline-4-carboxamide
MOLECULAR FORMULA: C22H16Cl2N2O2
MOLECULAR WEIGHT: 411.28064
SMILES: CC1=C(C2=CC=CC=C2N=C1C3=C(C=C(C=C3)Cl)Cl)C(=O)NCC4=CC=CO4
Structure:
CAS RN: 6382-31-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H18ClNO4
MOLECULAR WEIGHT: 395.83562
SMILES: C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5Cl
Structure:
CAS RN: 6231-47-6
CAS Name: 2-iodo-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
OPENEYE Name: 2-iodo-N-[2-(o-tolyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
IUPAC Name: 2-iodo-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SYSTEMATIC NAME: 2-iodanyl-N-[2-(2-methylphenyl)-5-oxidanylidene-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
MOLECULAR FORMULA: C19H16IN3O2S
MOLECULAR WEIGHT: 477.31871
SMILES: CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=CC=C4I
Structure:
CAS RN: 6517-75-5
CAS Name: N-(4-bromophenyl)-2-cyano-3-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-propenamide
OPENEYE Name: N-(4-bromophenyl)-2-cyano-3-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)prop-2-enamide
IUPAC Name: N-(4-bromophenyl)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)prop-2-enamide
SYSTEMATIC NAME: N-(4-bromophenyl)-2-cyano-3-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)prop-2-enamide
MOLECULAR FORMULA: C19H15BrN4O2
MOLECULAR WEIGHT: 411.252
SMILES: CN1C2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br)N(C1=O)C
Structure:
CAS RN: 6517-14-2
CAS Name: N-(2-adamantyl)benzenesulfonamide
OPENEYE Name: N-(2-adamantyl)benzenesulfonamide
IUPAC Name: N-(2-adamantyl)benzenesulfonamide
SYSTEMATIC NAME: N-(2-adamantyl)benzenesulfonamide
MOLECULAR FORMULA: C16H21NO2S
MOLECULAR WEIGHT: 291.40844
SMILES: C1C2CC3CC1CC(C2)C3NS(=O)(=O)C4=CC=CC=C4
Structure:
CAS RN: 5327-05-9
CAS Name: 3-[[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid
OPENEYE Name: 3-[[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid
IUPAC Name: 3-[[2-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid
SYSTEMATIC NAME: 3-[[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-bromanyl-phenoxy]methyl]benzoic acid
MOLECULAR FORMULA: C23H16BrN3O5
MOLECULAR WEIGHT: 494.29424
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=CC(=C(C=C3)OCC4=CC=CC(=C4)C(=O)O)Br
Structure:
CAS RN: 6494-68-4
CAS Name: 2-(3,4-dimethylphenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
OPENEYE Name: 2-(3,4-dimethylphenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
IUPAC Name: 2-(3,4-dimethylphenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-(3,4-dimethylphenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C22H20N2O3
MOLECULAR WEIGHT: 360.4058
SMILES: CC1=C(C=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)NCCO)C=CC=C4C2=O)C
Structure:
CAS RN: 6494-07-1
CAS Name: (3-chloro-3-phenylprop-2-enylidene)-dimethylammonium
OPENEYE Name: (3-chloro-3-phenyl-prop-2-enylidene)-dimethyl-ammonium
IUPAC Name: (3-chloro-3-phenylprop-2-enylidene)-dimethylazanium
SYSTEMATIC NAME: (3-chloranyl-3-phenyl-prop-2-enylidene)-dimethyl-azanium
MOLECULAR FORMULA: C11H13ClN+
MOLECULAR WEIGHT: 194.68062
SMILES: C[N+](=CC=C(C1=CC=CC=C1)Cl)C
Structure:
CAS RN: 6199-39-9
CAS Name: 1-(4-chlorophenyl)-4-hydroxy-2-(4-nitrophenyl)-3-[oxo(2-thiazolyl)methyl]-2H-pyrrol-5-one
OPENEYE Name: 1-(4-chlorophenyl)-4-hydroxy-2-(4-nitrophenyl)-3-(thiazole-2-carbonyl)-2H-pyrrol-5-one
IUPAC Name: 1-(4-chlorophenyl)-4-hydroxy-2-(4-nitrophenyl)-3-(1,3-thiazole-2-carbonyl)-2H-pyrrol-5-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(1,3-thiazol-2-ylcarbonyl)-2H-pyrrol-5-one
MOLECULAR FORMULA: C20H12ClN3O5S
MOLECULAR WEIGHT: 441.84438
SMILES: C1=CC(=CC=C1C2C(=C(C(=O)N2C3=CC=C(C=C3)Cl)O)C(=O)C4=NC=CS4)[N+](=O)[O-]
Structure:
CAS RN: 5216-32-0
CAS Name: N-[4-chloro-2-(1-oxopropyl)phenyl]benzamide
OPENEYE Name: N-(4-chloro-2-propanoyl-phenyl)benzamide
IUPAC Name: N-(4-chloro-2-propanoylphenyl)benzamide
SYSTEMATIC NAME: N-(4-chloranyl-2-propanoyl-phenyl)benzamide
MOLECULAR FORMULA: C16H14ClNO2
MOLECULAR WEIGHT: 287.74086
SMILES: CCC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6674-78-8
CAS Name: N-(2,5-dimethoxyphenyl)carbamic acid (4-fluorophenyl) ester
OPENEYE Name: (4-fluorophenyl) N-(2,5-dimethoxyphenyl)carbamate
IUPAC Name: (4-fluorophenyl) N-(2,5-dimethoxyphenyl)carbamate
SYSTEMATIC NAME: (4-fluorophenyl) N-(2,5-dimethoxyphenyl)carbamate
MOLECULAR FORMULA: C15H14FNO4
MOLECULAR WEIGHT: 291.274363
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)OC2=CC=C(C=C2)F
Structure:
CAS RN: 5460-91-3
CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester
OPENEYE Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate
IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate
MOLECULAR FORMULA: C27H23ClN2O8S2
MOLECULAR WEIGHT: 603.06312
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O
Structure:
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