N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: 1-(2-methylbenzoyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methylbenzoyl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-1-o-toluoyl-isonipecotamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCCSC3=NC=CN3C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCCSC3=NC=CN3C

InChI

InChI=1S/C20H26N4O2S/c1-15-5-3-4-6-17(15)19(26)24-11-7-16(8-12-24)18(25)21-10-14-27-20-22-9-13-23(20)2/h3-6,9,13,16H,7-8,10-12,14H2,1-2H3,(H,21,25)