N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(4-nitrophenyl)piperazino]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3S/c1-17-2-8-20(9-3-17)29-15-10-22-21(26)16-23-11-13-24(14-12-23)18-4-6-19(7-5-18)25(27)28/h2-9H,10-16H2,1H3,(H,22,26)