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

Systemtic Name: N-[3-[2-[(4-iodophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(4-iodoanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[2-(4-iodoanilino)-2-oxo-1-phenylethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-(4-iodoanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C27H20IN3O4S MolecularWeight: 609.43487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20IN3O4S/c28-20-12-14-21(15-13-20)29-27(33)25(18-6-2-1-3-7-18)36-24-11-5-9-22(17-24)30-26(32)19-8-4-10-23(16-19)31(34)35/h1-17,25H,(H,29,33)(H,30,32)