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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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