N-(4-methylphenyl)-2-[1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-methyl-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-oxopropan-2-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanylacetamide Traditional Name: 2-[[2-keto-1-methyl-2-[4-(6-nitro-3-pyridyl)piperazino]ethyl]thio]-N-(p-tolyl)acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c1-15-3-5-17(6-4-15)23-20(27)14-31-16(2)21(28)25-11-9-24(10-12-25)18-7-8-19(22-13-18)26(29)30/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,27)