N-butyl-5-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-[(phenylmethyl)amino]thiophene-3-carboxamide

Systemtic Name: N-butyl-5-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-[(phenylmethyl)amino]thiophene-3-carboxamide Openeye Name: 2-(benzylamino)-N-butyl-5-[(4-chlorophenyl)methyl]-4-oxo-thiophene-3-carboxamide CAS Name: N-butyl-5-[(4-chlorophenyl)methyl]-4-oxo-2-[(phenylmethyl)amino]-3-thiophenecarboxamide IUPAC Name: 2-(benzylamino)-N-butyl-5-[(4-chlorophenyl)methyl]-4-oxothiophene-3-carboxamide Traditional Name: 2-(benzylamino)-N-butyl-5-(4-chlorobenzyl)-4-keto-thiophene-3-carboxamide Formula: C23H25ClN2O2S MolecularWeight: 428.9748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC(C1=O)CC2=CC=C(C=C2)Cl)NCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=C(SC(C1=O)CC2=CC=C(C=C2)Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25ClN2O2S/c1-2-3-13-25-22(28)20-21(27)19(14-16-9-11-18(24)12-10-16)29-23(20)26-15-17-7-5-4-6-8-17/h4-12,19,26H,2-3,13-15H2,1H3,(H,25,28)