N-[4-[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[1-methyl-2-(3-methylanilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[1-(3-methylanilino)-1-oxopropan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[1-(3-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(m-toluidino)ethyl]thio]phenyl]-3-nitro-benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4S/c1-15-5-3-7-19(13-15)25-22(27)16(2)31-21-11-9-18(10-12-21)24-23(28)17-6-4-8-20(14-17)26(29)30/h3-14,16H,1-2H3,(H,24,28)(H,25,27)