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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(C(C1)N)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/c25-15-10-11-16(17(26)12-15)23(29)28(19-9-5-4-8-18(19)27)20-13-21(32-22(20)24(30)31)14-6-2-1-3-7-14/h1-3,6-7,10-13,18-19H,4-5,8-9,27H2,(H,30,31)