N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H16BrN3O4S/c1-2-9-25-15-6-4-3-5-12(15)16(22)20-17(26)19-14-8-7-11(21(23)24)10-13(14)18/h3-8,10H,2,9H2,1H3,(H2,19,20,22,26)