N-[3-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-(2,4-dimethoxyanilino)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H21N3O6S/c1-31-18-9-10-20(21(13-18)32-2)25-22(27)14-33-19-8-4-6-16(12-19)24-23(28)15-5-3-7-17(11-15)26(29)30/h3-13H,14H2,1-2H3,(H,24,28)(H,25,27)