5-bromanyl-2-methoxy-3-methyl-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(4-methyl-2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(4-methyl-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O4S/c1-9-4-5-13(14(6-9)21(23)24)19-17(26)20-16(22)12-8-11(18)7-10(2)15(12)25-3/h4-8H,1-3H3,(H2,19,20,22,26)