3-methyl-N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide

Systemtic Name: 3-methyl-N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide Openeye Name: 3-methyl-N-[3-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 3-methyl-N-[3-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]phenyl]benzamide IUPAC Name: 3-methyl-N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]benzamide Traditional Name: N-[3-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]-3-methyl-benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C23H21N3O4S/c1-15-5-3-6-17(11-15)23(28)24-18-7-4-8-20(12-18)31-14-22(27)25-21-13-19(26(29)30)10-9-16(21)2/h3-13H,14H2,1-2H3,(H,24,28)(H,25,27)