4-[2-[[5-chloranyl-2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[5-chloranyl-2-(4-methylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[5-chloro-2-(4-methylphenoxy)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[5-chloro-2-(4-methylphenoxy)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C22H18ClN3O5S MolecularWeight: 471.91342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O5S/c1-13-2-6-16(7-3-13)31-19-8-5-15(23)11-17(19)25-21(27)12-32-20-9-4-14(22(24)28)10-18(20)26(29)30/h2-11H,12H2,1H3,(H2,24,28)(H,25,27)