N-(2-methylphenyl)-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoyl-propyl-amino]ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanylethanoyl-propyl-amino]ethanamide Openeye Name: N-(o-tolyl)-2-[[2-[2-oxo-2-(1-piperidyl)ethyl]sulfanylacetyl]-propyl-amino]acetamide CAS Name: N-(2-methylphenyl)-2-[[1-oxo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]ethyl]-propylamino]acetamide IUPAC Name: N-(2-methylphenyl)-2-[[2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetyl]-propylamino]acetamide Traditional Name: 2-[[2-[(2-keto-2-piperidino-ethyl)thio]acetyl]-propyl-amino]-N-(o-tolyl)acetamide Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSCC(=O)N2CCCCC2

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSCC(=O)N2CCCCC2

InChI

InChI=1S/C21H31N3O3S/c1-3-11-24(14-19(25)22-18-10-6-5-9-17(18)2)21(27)16-28-15-20(26)23-12-7-4-8-13-23/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3,(H,22,25)