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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC(CCNC1)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/C24H22Cl2N2O3S/c25-16-8-9-18(19(26)13-16)23(29)28(17-7-4-11-27-12-10-17)20-14-21(32-22(20)24(30)31)15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14,17,27H,4,7,10-12H2,(H,30,31)