3-[(2,4-dichlorophenyl)carbonyl-(3-methylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(3-methylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-(3-methyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(3-methyl-4-piperidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(3-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-(3-methyl-4-piperidyl)amino]-5-phenyl-2-thenoic acid Formula: C24H22Cl2N2O3S MolecularWeight: 489.41408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1CNCCC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H22Cl2N2O3S/c1-14-13-27-10-9-19(14)28(23(29)17-8-7-16(25)11-18(17)26)20-12-21(32-22(20)24(30)31)15-5-3-2-4-6-15/h2-8,11-12,14,19,27H,9-10,13H2,1H3,(H,30,31)