4-[2-[[2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-(4-methylphenoxy)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[2-(4-methylphenoxy)anilino]ethyl]thio]-3-nitro-benzamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c1-14-6-9-16(10-7-14)30-19-5-3-2-4-17(19)24-21(26)13-31-20-11-8-15(22(23)27)12-18(20)25(28)29/h2-12H,13H2,1H3,(H2,23,27)(H,24,26)