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

Systemtic Name: N-(3-methylphenyl)-2-[(2S)-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[(1S)-1-(piperazine-1-carbonyl)propyl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[(2S)-1-oxo-1-(1-piperazinyl)butan-2-yl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[(2S)-1-oxo-1-piperazin-1-ylbutan-2-yl]sulfanylacetamide Traditional Name: N-(m-tolyl)-2-[[(1S)-1-(piperazine-1-carbonyl)propyl]thio]acetamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCNCC1)SCC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CC[C@@H](C(=O)N1CCNCC1)SCC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C17H25N3O2S/c1-3-15(17(22)20-9-7-18-8-10-20)23-12-16(21)19-14-6-4-5-13(2)11-14/h4-6,11,15,18H,3,7-10,12H2,1-2H3,(H,19,21)/t15-/m0/s1