N-[3-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(3-chloroanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[2-(3-chloroanilino)-2-oxo-1-phenylethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-(3-chloroanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C27H20ClN3O4S MolecularWeight: 517.9834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=CC=C2)Cl)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=CC=C2)Cl)SC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H20ClN3O4S/c28-20-8-4-9-21(16-20)30-27(33)25(18-6-2-1-3-7-18)36-24-11-5-10-22(17-24)29-26(32)19-12-14-23(15-13-19)31(34)35/h1-17,25H,(H,29,32)(H,30,33)