N-(4-methylphenyl)-2-[1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-methyl-2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[1-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanylacetamide Traditional Name: 2-[[2-keto-1-methyl-2-[4-(2-nitrophenyl)piperazino]ethyl]thio]-N-(p-tolyl)acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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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=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-16-7-9-18(10-8-16)23-21(27)15-31-17(2)22(28)25-13-11-24(12-14-25)19-5-3-4-6-20(19)26(29)30/h3-10,17H,11-15H2,1-2H3,(H,23,27)