4-(4-methylphenyl)sulfanyl-3-nitro-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzamide Openeye Name: N-[2-(isopropylamino)-2-oxo-ethyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide Traditional Name: N-[2-(isopropylamino)-2-keto-ethyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-12(2)21-18(23)11-20-19(24)14-6-9-17(16(10-14)22(25)26)27-15-7-4-13(3)5-8-15/h4-10,12H,11H2,1-3H3,(H,20,24)(H,21,23)