1-butyl-5-(4-chloranylthiophen-2-yl)-2-oxidanylidene-N-(phenylmethyl)pyridine-3-carboxamide

Systemtic Name: 1-butyl-5-(4-chloranylthiophen-2-yl)-2-oxidanylidene-N-(phenylmethyl)pyridine-3-carboxamide Openeye Name: N-benzyl-1-butyl-5-(4-chloro-2-thienyl)-2-oxo-pyridine-3-carboxamide CAS Name: 1-butyl-5-(4-chloro-2-thiophenyl)-2-oxo-N-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzyl-1-butyl-5-(4-chlorothiophen-2-yl)-2-oxopyridine-3-carboxamide Traditional Name: N-benzyl-1-butyl-5-(4-chloro-2-thienyl)-2-keto-nicotinamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C(C1=O)C(=O)NCC2=CC=CC=C2)C3=CC(=CS3)Cl

Isomeric SMILES

CCCCN1C=C(C=C(C1=O)C(=O)NCC2=CC=CC=C2)C3=CC(=CS3)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-2-3-9-24-13-16(19-11-17(22)14-27-19)10-18(21(24)26)20(25)23-12-15-7-5-4-6-8-15/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,23,25)