N-[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C24H23N3O4S/c1-3-17-7-4-6-16(2)23(17)26-22(28)15-32-21-12-10-19(11-13-21)25-24(29)18-8-5-9-20(14-18)27(30)31/h4-14H,3,15H2,1-2H3,(H,25,29)(H,26,28)