3-[(2,4-dichlorophenyl)carbonyl-(1-ethanoylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(1-ethanoylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-acetyl-4-piperidyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(1-acetyl-4-piperidinyl)-[(2,4-dichlorophenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(1-acetylpiperidin-4-yl)-(2,4-dichlorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-acetyl-4-piperidyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-2-thenoic acid Formula: C25H22Cl2N2O4S MolecularWeight: 517.42418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H22Cl2N2O4S/c1-15(30)28-11-9-18(10-12-28)29(24(31)19-8-7-17(26)13-20(19)27)21-14-22(34-23(21)25(32)33)16-5-3-2-4-6-16/h2-8,13-14,18H,9-12H2,1H3,(H,32,33)