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

Systemtic Name: N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[2-(p-tolylmethylsulfanyl)ethylamino]ethyl]benzamide CAS Name: N-[2-[2-[(4-methylphenyl)methylthio]ethylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[2-[(4-methylbenzyl)thio]ethylamino]ethyl]-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-14-5-7-15(8-6-14)13-27-10-9-20-18(23)12-21-19(24)16-3-2-4-17(11-16)22(25)26/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)(H,21,24)