5-bromanyl-2-methoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O4S/c1-9-3-5-11(20(22)23)8-13(9)18-16(25)19-15(21)12-7-10(17)4-6-14(12)24-2/h3-8H,1-2H3,(H2,18,19,21,25)