3-methyl-N-[4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide

Systemtic Name: 3-methyl-N-[4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide Openeye Name: 3-methyl-N-[4-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 3-methyl-N-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylphenyl]benzamide Traditional Name: N-[4-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]phenyl]-3-methyl-benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

InChI

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