4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 3-nitro-4-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-benzamide CAS Name: 4-[[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[4-(o-tolyl)piperazino]ethyl]thio]-3-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-14-4-2-3-5-16(14)22-8-10-23(11-9-22)19(25)13-29-18-7-6-15(20(21)26)12-17(18)24(27)28/h2-7,12H,8-11,13H2,1H3,(H2,21,26)