1-[(4-chlorophenyl)methyl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: 1-[(4-chlorophenyl)methyl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: 1-[(4-chlorophenyl)methyl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-oxo-piperidine-3-carboxamide CAS Name: 1-[(4-chlorophenyl)methyl]-N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-6-oxopiperidine-3-carboxamide Traditional Name: 1-(4-chlorobenzyl)-6-keto-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]nipecotamide Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN4O2S/c1-23-10-8-22-19(23)27-11-9-21-18(26)15-4-7-17(25)24(13-15)12-14-2-5-16(20)6-3-14/h2-3,5-6,8,10,15H,4,7,9,11-13H2,1H3,(H,21,26)