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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(3-methylpiperidin-4-yl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-(3-methylpiperidine-4-carbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-[(3-methyl-4-piperidinyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(3-methylpiperidine-4-carbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-(3-methylisonipecotoyl)amino]-5-phenyl-2-thenoic acid Formula: C25H22Cl2N2O4S MolecularWeight: 517.42418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCC1C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1CNCCC1C(=O)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/c1-14-13-28-10-9-17(14)23(30)29(24(31)18-8-7-16(26)11-19(18)27)20-12-21(34-22(20)25(32)33)15-5-3-2-4-6-15/h2-8,11-12,14,17,28H,9-10,13H2,1H3,(H,32,33)