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

Systemtic Name: 4-[2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-[4-(m-tolyl)piperazin-1-yl]ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-[4-(3-methylphenyl)-1-piperazinyl]ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[2-[4-(m-tolyl)piperazino]ethylamino]ethyl]thio]-3-nitro-benzamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4S/c1-16-3-2-4-18(13-16)26-11-9-25(10-12-26)8-7-24-21(28)15-32-20-6-5-17(22(23)29)14-19(20)27(30)31/h2-6,13-14H,7-12,15H2,1H3,(H2,23,29)(H,24,28)