N-(4-ethylphenyl)-2-[(2R)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[(2R)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethylphenyl)-2-[(1R)-1-methyl-2-oxo-2-piperazin-1-yl-ethyl]sulfanyl-acetamide CAS Name: N-(4-ethylphenyl)-2-[[(2R)-1-oxo-1-(1-piperazinyl)propan-2-yl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[(2R)-1-oxo-1-piperazin-1-ylpropan-2-yl]sulfanylacetamide Traditional Name: N-(4-ethylphenyl)-2-[[(1R)-2-keto-1-methyl-2-piperazino-ethyl]thio]acetamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCNCC2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)N2CCNCC2

InChI

InChI=1S/C17H25N3O2S/c1-3-14-4-6-15(7-5-14)19-16(21)12-23-13(2)17(22)20-10-8-18-9-11-20/h4-7,13,18H,3,8-12H2,1-2H3,(H,19,21)/t13-/m1/s1