2-methyl-N-[4-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 2-methyl-N-[4-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]benzamide Openeye Name: 2-methyl-N-[4-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 2-methyl-N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]benzamide IUPAC Name: 2-methyl-N-[4-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]phenyl]-2-methyl-benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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