N-(4-methylphenyl)-2-[(2R)-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[(2R)-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(1R)-1-methyl-2-oxo-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[(2R)-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)propan-2-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[(2R)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]sulfanylacetamide Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-[4-(4-pyridyl)piperazino]ethyl]thio]-N-(p-tolyl)acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H26N4O2S/c1-16-3-5-18(6-4-16)23-20(26)15-28-17(2)21(27)25-13-11-24(12-14-25)19-7-9-22-10-8-19/h3-10,17H,11-15H2,1-2H3,(H,23,26)/t17-/m1/s1