N-(3-methylphenyl)-2-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(1S)-1-methyl-2-oxo-2-piperazin-1-yl-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[(2S)-1-oxo-1-(1-piperazinyl)propan-2-yl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]sulfanylacetamide Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-piperazino-ethyl]thio]-N-(m-tolyl)acetamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC(C)C(=O)N2CCNCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CS[C@@H](C)C(=O)N2CCNCC2

InChI

InChI=1S/C16H23N3O2S/c1-12-4-3-5-14(10-12)18-15(20)11-22-13(2)16(21)19-8-6-17-7-9-19/h3-5,10,13,17H,6-9,11H2,1-2H3,(H,18,20)/t13-/m0/s1