4-azanyl-5-(4-chlorophenyl)carbonyl-2-[(2-methylphenyl)amino]-N-phenethyl-thiophene-3-carboxamide

Systemtic Name: 4-azanyl-5-(4-chlorophenyl)carbonyl-2-[(2-methylphenyl)amino]-N-phenethyl-thiophene-3-carboxamide Openeye Name: 4-amino-5-(4-chlorobenzoyl)-2-(2-methylanilino)-N-phenethyl-thiophene-3-carboxamide CAS Name: 4-amino-5-[(4-chlorophenyl)-oxomethyl]-2-(2-methylanilino)-N-phenethyl-3-thiophenecarboxamide IUPAC Name: 4-amino-5-(4-chlorobenzoyl)-2-(2-methylanilino)-N-phenethylthiophene-3-carboxamide Traditional Name: 4-amino-5-(4-chlorobenzoyl)-2-(o-toluidino)-N-phenethyl-thiophene-3-carboxamide Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H24ClN3O2S/c1-17-7-5-6-10-21(17)31-27-22(26(33)30-16-15-18-8-3-2-4-9-18)23(29)25(34-27)24(32)19-11-13-20(28)14-12-19/h2-14,31H,15-16,29H2,1H3,(H,30,33)