CAS RN: 6987-04-8
CAS Name: 4-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]hydrazo]-N-(2,4-dichlorophenyl)-4-oxobutanamide
OPENEYE Name: 4-[2-[2-(2-bromo-4-chloro-phenoxy)acetyl]hydrazino]-N-(2,4-dichlorophenyl)-4-oxo-butanamide
IUPAC Name: 4-[2-[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
SYSTEMATIC NAME: 4-[2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxidanylidene-butanamide
MOLECULAR FORMULA: C18H15BrCl3N3O4
MOLECULAR WEIGHT: 523.5924
SMILES: C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)Br
Structure:
CAS RN: 6978-49-0
CAS Name: 3-bromo-4-tert-butyl-N-[(4-hydroxyanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: 3-bromo-4-tert-butyl-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
IUPAC Name: 3-bromo-4-tert-butyl-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: 3-bromanyl-4-tert-butyl-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C18H19BrN2O2S
MOLECULAR WEIGHT: 407.32466
SMILES: CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)O)Br
Structure:
CAS RN: 6978-48-9
CAS Name: 3-bromo-4-tert-butyl-N-[(1-naphthalenylamino)-sulfanylidenemethyl]benzamide
OPENEYE Name: 3-bromo-4-tert-butyl-N-(1-naphthylcarbamothioyl)benzamide
IUPAC Name: 3-bromo-4-tert-butyl-N-(naphthalen-1-ylcarbamothioyl)benzamide
SYSTEMATIC NAME: 3-bromanyl-4-tert-butyl-N-(naphthalen-1-ylcarbamothioyl)benzamide
MOLECULAR FORMULA: C22H21BrN2OS
MOLECULAR WEIGHT: 441.38394
SMILES: CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=CC=CC=C32)Br
Structure:
CAS RN: 6917-85-7
CAS Name: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; 3-[2,7-bis(2-amino-2-oxoethyl)-3,13,17-tris(2-carboxyethyl)-18-(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid; cobalt(3+)
OPENEYE Name: cobaltic; 2-(6-aminopurin-9-yl)-5-methanidyl-tetrahydrofuran-3,4-diol; 3-[2,7-bis(2-amino-2-oxo-ethyl)-3,13,17-tris(2-carboxyethyl)-18-(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid
IUPAC Name: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; 3-[2,7-bis(2-amino-2-oxoethyl)-3,13,17-tris(2-carboxyethyl)-18-(carboxymethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid; cobalt(3+)
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-5-methanidyl-oxolane-3,4-diol; 3-[2,7-bis(2-azanyl-2-oxidanylidene-ethyl)-18-(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid; cobalt(
MOLECULAR FORMULA: C55H73CoN11O15+
MOLECULAR WEIGHT: 1187.16602
SMILES: CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)O)(C)C)CCC(=O)O)(C)CC(=O)N)C)CCC(=O)O)(C)CC(=O)N)C)CC(=O)O)(C)CCC(=O)O.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+3]
Structure:
CAS RN: 6958-49-2
CAS Name: 2-amino-4-(2,6-dichlorophenyl)-6-(2-nitrophenyl)-3-pyridinecarbonitrile
OPENEYE Name: 2-amino-4-(2,6-dichlorophenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
IUPAC Name: 2-amino-4-(2,6-dichlorophenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-[2,6-bis(chloranyl)phenyl]-6-(2-nitrophenyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C18H10Cl2N4O2
MOLECULAR WEIGHT: 385.2036
SMILES: C1=CC=C(C(=C1)C2=NC(=C(C(=C2)C3=C(C=CC=C3Cl)Cl)C#N)N)[N+](=O)[O-]
Structure:
CAS RN: 7018-35-1
CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
OPENEYE Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-4-[hydroxy-(3-propoxyphenyl)methylene]pyrrolidine-2,3-dione
IUPAC Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-5-(4-chlorophenyl)-4-[oxidanyl-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
MOLECULAR FORMULA: C27H20Cl2N2O4S
MOLECULAR WEIGHT: 539.4297
SMILES: CCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)Cl)C5=CC=C(C=C5)Cl)O
Structure:
CAS RN: 6998-40-9
CAS Name: 3-[[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester
OPENEYE Name: methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
IUPAC Name: methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
SYSTEMATIC NAME: methyl 3-[[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]benzoate
MOLECULAR FORMULA: C19H19ClN2O5S
MOLECULAR WEIGHT: 422.88256
SMILES: COC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 6926-99-4
CAS Name: 4-(4-fluorophenyl)-2-[(4-oxo-4-phenylbutyl)thio]-6-thiophen-2-yl-3-pyridinecarbonitrile
OPENEYE Name: 4-(4-fluorophenyl)-2-(4-oxo-4-phenyl-butyl)sulfanyl-6-(2-thienyl)pyridine-3-carbonitrile
IUPAC Name: 4-(4-fluorophenyl)-2-(4-oxo-4-phenylbutyl)sulfanyl-6-thiophen-2-ylpyridine-3-carbonitrile
SYSTEMATIC NAME: 4-(4-fluorophenyl)-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-6-thiophen-2-yl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C26H19FN2OS2
MOLECULAR WEIGHT: 458.570263
SMILES: C1=CC=C(C=C1)C(=O)CCCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C#N
Structure:
CAS RN: 7038-38-2
CAS Name: N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]-2-pyridinecarboximidamide
OPENEYE Name: N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyleneamino]pyridine-2-carboxamidine
IUPAC Name: N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]pyridine-2-carboximidamide
SYSTEMATIC NAME: N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]pyridine-2-carboximidamide
MOLECULAR FORMULA: C22H22N4O2
MOLECULAR WEIGHT: 374.43568
SMILES: CCOC1=CC=C(C=C1)N=C(C2=CC=CC=N2)NN=CC3=CC=C(C=C3)OC
Structure:
CAS RN: 7038-37-1
CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)-2-pyridinecarboximidamide
OPENEYE Name: N-[(4-ethoxy-3-methoxy-phenyl)methyleneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboxamidine
IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide
SYSTEMATIC NAME: N-[(4-ethoxy-3-methoxy-phenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide
MOLECULAR FORMULA: C24H26N4O3
MOLECULAR WEIGHT: 418.48824
SMILES: CCOC1=CC=C(C=C1)N=C(C2=CC=CC=N2)NN=CC3=CC(=C(C=C3)OCC)OC
Structure:
CAS RN: 6946-98-1
CAS Name: 5-bromo-2-methoxy-N-[[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide
OPENEYE Name: 5-bromo-2-methoxy-N-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamothioyl]benzamide
IUPAC Name: 5-bromo-2-methoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
SYSTEMATIC NAME: 5-bromanyl-2-methoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
MOLECULAR FORMULA: C19H16BrN3O3S2
MOLECULAR WEIGHT: 478.38264
SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC
Structure:
CAS RN: 6946-97-0
CAS Name: 2-(2,3-dimethylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
OPENEYE Name: 2-(2,3-dimethylphenoxy)-N-[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]acetamide
IUPAC Name: 2-(2,3-dimethylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
SYSTEMATIC NAME: 2-(2,3-dimethylphenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]ethanamide
MOLECULAR FORMULA: C26H26N2O3
MOLECULAR WEIGHT: 414.49624
SMILES: CC1=C(C(=CC=C1)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)C
Structure:
CAS RN: 7026-97-3
CAS Name: N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-4-thiazolyl]benzenesulfonamide
OPENEYE Name: N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-thiazol-4-yl]benzenesulfonamide
IUPAC Name: N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
SYSTEMATIC NAME: N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
MOLECULAR FORMULA: C25H25N3O2S2
MOLECULAR WEIGHT: 463.6149
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2CCC4=CC=CC=C4
Structure:
CAS RN: 6978-47-8
CAS Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-(1-naphthalenyl)acetamide
OPENEYE Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(1-naphthyl)acetamide
IUPAC Name: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
SYSTEMATIC NAME: N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-naphthalen-1-yl-ethanamide
MOLECULAR FORMULA: C27H25N3O3S2
MOLECULAR WEIGHT: 503.6357
SMILES: CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC4=CC=CC=C43)C
Structure:
CAS RN: 6978-46-7
CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-(1-naphthalenyl)acetamide
OPENEYE Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]-2-(1-naphthyl)acetamide
IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
SYSTEMATIC NAME: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-2-naphthalen-1-yl-ethanamide
MOLECULAR FORMULA: C25H27N3O3S2
MOLECULAR WEIGHT: 481.63018
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 5853-85-0
CAS Name: 2-[[(2-acetyloxyphenyl)-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[(2-acetoxybenzoyl)amino]acetic acid
IUPAC Name: 2-[(2-acetyloxybenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(2-acetyloxyphenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C11H11NO5
MOLECULAR WEIGHT: 237.20874
SMILES: CC(=O)OC1=CC=CC=C1C(=O)NCC(=O)O
Structure:
CAS RN: 7006-94-2
CAS Name: 2-[[(2-acetyloxyphenyl)-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[(2-acetoxybenzoyl)amino]acetic acid
IUPAC Name: 2-[(2-acetyloxybenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(2-acetyloxyphenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C11H11NO5
MOLECULAR WEIGHT: 237.20874
SMILES: CC(=O)OC1=CC=CC=C1C(=O)NCC(=O)O
Structure:
CAS RN: 7018-34-0
CAS Name: 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
OPENEYE Name: 5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]pyrrolidine-2,3-dione
IUPAC Name: 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
SYSTEMATIC NAME: 5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]pyrrolidine-2,3-dione
MOLECULAR FORMULA: C27H20BrClN2O6S
MOLECULAR WEIGHT: 615.8795
SMILES: CCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)Cl)C5=CC(=C(C(=C5)Br)O)OC)O
Structure:
CAS RN: 7018-33-9
CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione
OPENEYE Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione
IUPAC Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]-5-(4-pentoxyphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C31H29ClN2O5S
MOLECULAR WEIGHT: 577.09036
SMILES: CCCCCOC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OCC)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)Cl
Structure:
CAS RN: 7018-32-8
CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
OPENEYE Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(4-pyridyl)pyrrolidine-2,3-dione
IUPAC Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]-5-pyridin-4-yl-pyrrolidine-2,3-dione
MOLECULAR FORMULA: C25H18ClN3O4S
MOLECULAR WEIGHT: 491.94612
SMILES: CCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)Cl)C5=CC=NC=C5)O
Structure:
CAS RN: 83851-42-7
CAS Name: 6-[[2-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-carboxyethyl]thio]-5-hydroxyeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: 6-[2-[(4-amino-4-carboxy-butanoyl)amino]-2-carboxy-ethyl]sulfanyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: 6-[2-[(4-amino-4-carboxybutanoyl)amino]-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: 6-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C28H44N2O8S
MOLECULAR WEIGHT: 568.72256
SMILES: CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)NC(=O)CCC(C(=O)O)N
Structure:
CAS RN: 6917-83-5
CAS Name: 4,5-dihydroxy-6-(hydroxymethyl)oxane-2,3-dione
OPENEYE Name: 4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2,3-dione
IUPAC Name: 4,5-dihydroxy-6-(hydroxymethyl)oxane-2,3-dione
SYSTEMATIC NAME: 6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2,3-dione
MOLECULAR FORMULA: C6H8O6
MOLECULAR WEIGHT: 176.12412
SMILES: C(C1C(C(C(=O)C(=O)O1)O)O)O
Structure:
CAS RN: 6987-03-7
CAS Name: N'-[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]-2-(4-chloro-2-methylphenoxy)acetohydrazide
OPENEYE Name: N'-[2-(2-bromo-4-chloro-phenoxy)acetyl]-2-(4-chloro-2-methyl-phenoxy)acetohydrazide
IUPAC Name: N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-chloro-2-methylphenoxy)acetohydrazide
SYSTEMATIC NAME: N'-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]-2-(4-chloranyl-2-methyl-phenoxy)ethanehydrazide
MOLECULAR FORMULA: C17H15BrCl2N2O4
MOLECULAR WEIGHT: 462.122
SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)Br
Structure:
CAS RN: 7038-35-9
CAS Name: N'-phenyl-N-[2-(1,3,3-trimethyl-2-indolylidene)ethylideneamino]-1,3-benzothiazole-2-carboximidamide
OPENEYE Name: N'-phenyl-N-[2-(1,3,3-trimethylindolin-2-ylidene)ethylideneamino]-1,3-benzothiazole-2-carboxamidine
IUPAC Name: N'-phenyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-1,3-benzothiazole-2-carboximidamide
SYSTEMATIC NAME: N'-phenyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]-1,3-benzothiazole-2-carboximidamide
MOLECULAR FORMULA: C27H25N5S
MOLECULAR WEIGHT: 451.5859
SMILES: CC1(C2=CC=CC=C2N(C1=CC=NNC(=NC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C)C
Structure:
CAS RN: 6926-98-3
CAS Name: 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)thio]-4-(4-ethoxycarbonylphenyl)-2-methyl-3-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-cyano-6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methyl-pyridine-3-carboxylate
IUPAC Name: ethyl 5-cyano-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methylpyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methyl-pyridine-3-carboxylate
MOLECULAR FORMULA: C25H28N2O5S
MOLECULAR WEIGHT: 468.56522
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)OCC)C)SCC(=O)C(C)(C)C)C#N
Structure:
CAS RN: 6926-97-2
CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester
OPENEYE Name: [4-(piperidine-1-carbothioyl)phenyl] 2,3-diphenylquinoxaline-6-carboxylate
IUPAC Name: [4-(piperidine-1-carbothioyl)phenyl] 2,3-diphenylquinoxaline-6-carboxylate
SYSTEMATIC NAME: (4-piperidin-1-ylcarbothioylphenyl) 2,3-diphenylquinoxaline-6-carboxylate
MOLECULAR FORMULA: C33H27N3O2S
MOLECULAR WEIGHT: 529.65138
SMILES: C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 6958-45-8
CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(2-nitrophenyl)-3-pyridinecarbonitrile
OPENEYE Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(3,4-dimethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C20H16N4O4
MOLECULAR WEIGHT: 376.36544
SMILES: COC1=C(C=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=CC=C3[N+](=O)[O-])OC
Structure:
CAS RN: 7012-88-6
CAS Name: 7-chloro-2-methyl-1H-quinazolin-4-one
OPENEYE Name: 7-chloro-2-methyl-1H-quinazolin-4-one
IUPAC Name: 7-chloro-2-methyl-1H-quinazolin-4-one
SYSTEMATIC NAME: 7-chloranyl-2-methyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C9H7ClN2O
MOLECULAR WEIGHT: 194.61768
SMILES: CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl
Structure:
CAS RN: 7018-31-7
CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
OPENEYE Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
IUPAC Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-[(3-ethoxyphenyl)-oxidanyl-methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C26H19ClN2O5S
MOLECULAR WEIGHT: 506.95746
SMILES: CCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)Cl)C5=CC=C(C=C5)O)O
Structure:
CAS RN: 6998-37-4
CAS Name: 4-[[3-methyl-1-oxo-2-[(1-oxo-2,2-diphenylethyl)amino]butyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[2-[(2,2-diphenylacetyl)amino]-3-methyl-butanoyl]amino]benzoate
IUPAC Name: ethyl 4-[[2-[(2,2-diphenylacetyl)amino]-3-methylbutanoyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[2-(2,2-diphenylethanoylamino)-3-methyl-butanoyl]amino]benzoate
MOLECULAR FORMULA: C28H30N2O4
MOLECULAR WEIGHT: 458.5488
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 7026-96-2
CAS Name: 3-hexyl-N-phenyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolimine
OPENEYE Name: 3-hexyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-imine
IUPAC Name: 3-hexyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
SYSTEMATIC NAME: 3-hexyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
MOLECULAR FORMULA: C25H31N3O2S2
MOLECULAR WEIGHT: 469.66254
SMILES: CCCCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4
Structure:
CAS RN: 7026-95-1
CAS Name: 4-(4-methylphenyl)-3-pentyl-N-phenyl-2-thiazolimine
OPENEYE Name: 3-pentyl-N-phenyl-4-(p-tolyl)thiazol-2-imine
IUPAC Name: 4-(4-methylphenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
SYSTEMATIC NAME: 4-(4-methylphenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
MOLECULAR FORMULA: C21H24N2S
MOLECULAR WEIGHT: 336.49366
SMILES: CCCCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)C
Structure:
CAS RN: 6917-82-4
CAS Name: 2-[[4,5-dihydroxy-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C18H32O16
MOLECULAR WEIGHT: 504.43708
SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O
Structure:
CAS RN: 7006-93-1
CAS Name: 3-[[(2-acetyloxy-5-bromophenyl)-oxomethyl]amino]benzoic acid
OPENEYE Name: 3-[(2-acetoxy-5-bromo-benzoyl)amino]benzoic acid
IUPAC Name: 3-[(2-acetyloxy-5-bromobenzoyl)amino]benzoic acid
SYSTEMATIC NAME: 3-[(2-acetyloxy-5-bromanyl-phenyl)carbonylamino]benzoic acid
MOLECULAR FORMULA: C16H12BrNO5
MOLECULAR WEIGHT: 378.17418
SMILES: CC(=O)OC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 7006-91-9
CAS Name: acetic acid [2,4-dibromo-6-[[4-[[butylamino(oxo)methyl]sulfamoyl]anilino]-oxomethyl]phenyl] ester
OPENEYE Name: [2,4-dibromo-6-[[4-(butylcarbamoylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
IUPAC Name: [2,4-dibromo-6-[[4-(butylcarbamoylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
SYSTEMATIC NAME: [2,4-bis(bromanyl)-6-[[4-(butylcarbamoylsulfamoyl)phenyl]carbamoyl]phenyl] ethanoate
MOLECULAR FORMULA: C20H21Br2N3O6S
MOLECULAR WEIGHT: 591.27024
SMILES: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2OC(=O)C)Br)Br
Structure:
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