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

Systemtic Name: N-[3-[2-[(2-bromophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(2-bromoanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[2-(2-bromoanilino)-2-oxo-1-phenylethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[2-(2-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-(2-bromoanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C27H20BrN3O4S MolecularWeight: 562.4344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2Br)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=CC=C2Br)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H20BrN3O4S/c28-23-14-4-5-15-24(23)30-27(33)25(18-8-2-1-3-9-18)36-22-13-7-11-20(17-22)29-26(32)19-10-6-12-21(16-19)31(34)35/h1-17,25H,(H,29,32)(H,30,33)