N-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl]benzamide CAS Name: N-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[2-(p-tolylthio)ethylamino]ethyl]-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-13-5-7-16(8-6-13)26-10-9-19-17(22)12-20-18(23)14-3-2-4-15(11-14)21(24)25/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,23)