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

Systemtic Name: 4-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-iodoanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-iodoanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-iodoanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-iodoanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C15H12IN3O4S MolecularWeight: 457.24295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])I

InChI

InChI=1S/C15H12IN3O4S/c16-10-2-4-11(5-3-10)18-14(20)8-24-13-6-1-9(15(17)21)7-12(13)19(22)23/h1-7H,8H2,(H2,17,21)(H,18,20)