N-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(4-methyl-1-piperazinyl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(4-methylpiperazino)-2-[(4-nitrophenyl)thio]acetamide Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3S/c1-15-6-8-16(9-7-15)14-13(18)10-21-12-4-2-11(3-5-12)17(19)20/h2-5H,6-10H2,1H3,(H,14,18)