3-iodanyl-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-iodo-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-iodo-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C15H12IN3O3S MolecularWeight: 441.24355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C15H12IN3O3S/c1-9-7-12(19(21)22)5-6-13(9)17-15(23)18-14(20)10-3-2-4-11(16)8-10/h2-8H,1H3,(H2,17,18,20,23)