CAS RN: 5688-68-6
CAS Name: 2-[4-oxo-5-(3-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoate
OPENEYE Name: 2-[4-oxo-5-(pyridin-1-ium-3-ylmethylene)-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoate
IUPAC Name: 2-[4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate
SYSTEMATIC NAME: 2-[4-oxidanylidene-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoate
MOLECULAR FORMULA: C18H14N2O3S2
MOLECULAR WEIGHT: 370.44536
SMILES: C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C(=CC3=C[NH+]=CC=C3)SC2=S
Structure:
CAS RN: 6767-62-0
CAS Name: 6-(dibutylsulfamoyl)-2-oxo-N-(1-phenylethyl)-1H-quinoline-4-carboxamide
OPENEYE Name: 6-(dibutylsulfamoyl)-2-oxo-N-(1-phenylethyl)-1H-quinoline-4-carboxamide
IUPAC Name: 6-(dibutylsulfamoyl)-2-oxo-N-(1-phenylethyl)-1H-quinoline-4-carboxamide
SYSTEMATIC NAME: 6-(dibutylsulfamoyl)-2-oxidanylidene-N-(1-phenylethyl)-1H-quinoline-4-carboxamide
MOLECULAR FORMULA: C26H33N3O4S
MOLECULAR WEIGHT: 483.62292
SMILES: CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NC(C)C3=CC=CC=C3
Structure:
CAS RN: 6767-61-9
CAS Name: N-cycloheptyl-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxo-2-pyrrolidinecarboxamide
OPENEYE Name: N-cycloheptyl-2-methyl-5-oxo-1-[2-(p-tolyl)ethyl]pyrrolidine-2-carboxamide
IUPAC Name: N-cycloheptyl-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-cycloheptyl-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C22H32N2O2
MOLECULAR WEIGHT: 356.50168
SMILES: CC1=CC=C(C=C1)CCN2C(=O)CCC2(C)C(=O)NC3CCCCCC3
Structure:
CAS RN: 4903-65-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H36N6O3
MOLECULAR WEIGHT: 480.60244
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCOC(C)C)C(=O)NCCN4CCCCC4
Structure:
CAS RN: 4903-04-2
CAS Name: 5-[[3-[3-(1-azepanylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]methylidene]-3-methyl-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C26H26N4O3S3
MOLECULAR WEIGHT: 538.70464
SMILES: CN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5)SC1=S
Structure:
CAS RN: 6842-88-2
CAS Name: 6-bromo-3-[(2-ethyl-1-piperidin-1-iumyl)methyl]-2-methyl-1H-quinolin-4-one
OPENEYE Name: 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one
IUPAC Name: 6-bromo-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one
SYSTEMATIC NAME: 6-bromanyl-3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-methyl-1H-quinolin-4-one
MOLECULAR FORMULA: C18H24BrN2O+
MOLECULAR WEIGHT: 364.29996
SMILES: CCC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)Br)C
Structure:
CAS RN: 6700-29-4
CAS Name: N-methylcarbamic acid [6-(methylcarbamoyloxymethyl)-2-pyridin-1-iumyl]methyl ester
OPENEYE Name: [6-(methylcarbamoyloxymethyl)pyridin-1-ium-2-yl]methyl N-methylcarbamate
IUPAC Name: [6-(methylcarbamoyloxymethyl)pyridin-1-ium-2-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [6-(methylcarbamoyloxymethyl)pyridin-1-ium-2-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C11H16N3O4+
MOLECULAR WEIGHT: 254.26244
SMILES: CNC(=O)OCC1=[NH+]C(=CC=C1)COC(=O)NC
Structure:
CAS RN: 5970-21-8
CAS Name: N-butyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide
OPENEYE Name: N-butyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethyl]-3-methyl-butanamide
IUPAC Name: N-butyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methylbutanamide
SYSTEMATIC NAME: N-butyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-3-methyl-butanamide
MOLECULAR FORMULA: C24H30Cl2N2O2S
MOLECULAR WEIGHT: 481.4782
SMILES: CCCCN(CC(=O)N1CCC2=C(C1C3=C(C=C(C=C3)Cl)Cl)C=CS2)C(=O)CC(C)C
Structure:
CAS RN: 759-05-7
CAS Name: 3-methyl-2-oxobutanoate
OPENEYE Name: 3-methyl-2-oxo-butanoate
IUPAC Name: 3-methyl-2-oxobutanoate
SYSTEMATIC NAME: 3-methyl-2-oxidanylidene-butanoate
MOLECULAR FORMULA: C5H7O3-
MOLECULAR WEIGHT: 115.10728
SMILES: CC(C)C(=O)C(=O)[O-]
Structure:
CAS RN: 4876-67-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H22N4O2S2
MOLECULAR WEIGHT: 450.57638
SMILES: CC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2SC4=NC5=C(COC(C5)(C)C)C=C34
Structure:
CAS RN: 5276-79-9
CAS Name: 6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-(3-pyridinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
OPENEYE Name: 6-[[1-(3-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-2-(3-pyridyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC Name: 6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-azanylidene-6-[[1-(3-chloranyl-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C24H19ClN6OS
MOLECULAR WEIGHT: 474.96526
SMILES: CC1=CC(=C(N1C2=C(C(=CC=C2)Cl)C)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5
Structure:
CAS RN: 5276-18-6
CAS Name: 4-[1-(2-cyclohexylethyl)-2-benzimidazolyl]-1-(3-methoxyphenyl)-2-pyrrolidinone
OPENEYE Name: 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
IUPAC Name: 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C26H31N3O2
MOLECULAR WEIGHT: 417.54324
SMILES: COC1=CC=CC(=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3CCC5CCCCC5
Structure:
CAS RN: 6375-71-9
CAS Name: 4-tert-butyl-N-[7-[[(4-tert-butylphenyl)-oxomethyl]amino]heptyl]benzamide
OPENEYE Name: 4-tert-butyl-N-[7-[(4-tert-butylbenzoyl)amino]heptyl]benzamide
IUPAC Name: 4-tert-butyl-N-[7-[(4-tert-butylbenzoyl)amino]heptyl]benzamide
SYSTEMATIC NAME: 4-tert-butyl-N-[7-[(4-tert-butylphenyl)carbonylamino]heptyl]benzamide
MOLECULAR FORMULA: C29H42N2O2
MOLECULAR WEIGHT: 450.65598
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCCCCCNC(=O)C2=CC=C(C=C2)C(C)(C)C
Structure:
CAS RN: 6375-10-6
CAS Name: N,N'-bis[[4-(diethylamino)phenyl]methylideneamino]heptanediamide
OPENEYE Name: N,N'-bis[[4-(diethylamino)phenyl]methyleneamino]heptanediamide
IUPAC Name: N,N'-bis[[4-(diethylamino)phenyl]methylideneamino]heptanediamide
SYSTEMATIC NAME: N,N'-bis[[4-(diethylamino)phenyl]methylideneamino]heptanediamide
MOLECULAR FORMULA: C29H42N6O2
MOLECULAR WEIGHT: 506.68278
SMILES: CCN(CC)C1=CC=C(C=C1)C=NNC(=O)CCCCCC(=O)NN=CC2=CC=C(C=C2)N(CC)CC
Structure:
CAS RN: 6766-63-8
CAS Name: N-cyclohexyl-N-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinamine
OPENEYE Name: N-cyclohexyl-N-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-amine
IUPAC Name: N-cyclohexyl-N-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-cyclohexyl-N-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C19H21N3S
MOLECULAR WEIGHT: 323.45514
SMILES: CN(C1CCCCC1)C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4
Structure:
CAS RN: 6222-84-0
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylacetamide
OPENEYE Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenyl-acetamide
IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenylacetamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-phenyl-ethanamide
MOLECULAR FORMULA: C23H21N3OS2
MOLECULAR WEIGHT: 419.56234
SMILES: CN1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)CC5=CC=CC=C5
Structure:
CAS RN: 6220-38-8
CAS Name: N-methyl-1-phenyl-N-[2-(2-pyridinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine
OPENEYE Name: N-methyl-1-phenyl-N-[2-(2-pyridyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name: N-methyl-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-methyl-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C19H18N6
MOLECULAR WEIGHT: 330.38642
SMILES: CN(CCC1=CC=CC=N1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4
Structure:
CAS RN: 5480-21-7
CAS Name: 4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (2-phenyl-4-thiazolyl)methyl ester
OPENEYE Name: (2-phenylthiazol-4-yl)methyl 4-[(4-methoxyphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate
IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SYSTEMATIC NAME: (2-phenyl-1,3-thiazol-4-yl)methyl 4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
MOLECULAR FORMULA: C32H26N2O3S
MOLECULAR WEIGHT: 518.62544
SMILES: COC1=CC=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC5=CSC(=N5)C6=CC=CC=C6
Structure:
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