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

Systemtic Name: 3-[azepan-3-ylmethyl-(2,4-dichlorophenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[azepan-3-ylmethyl-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[3-azepanylmethyl-[(2,4-dichlorophenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[azepan-3-ylmethyl-(2,4-dichlorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[azepan-3-ylmethyl-(2,4-dichlorobenzoyl)amino]-5-phenyl-2-thenoic acid Formula: C25H24Cl2N2O3S MolecularWeight: 503.44066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC(C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCNCC(C1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H24Cl2N2O3S/c26-18-9-10-19(20(27)12-18)24(30)29(15-16-6-4-5-11-28-14-16)21-13-22(33-23(21)25(31)32)17-7-2-1-3-8-17/h1-3,7-10,12-13,16,28H,4-6,11,14-15H2,(H,31,32)