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

Systemtic Name: 5-bromanyl-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C18H18BrN3O5S MolecularWeight: 468.32162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O5S/c1-3-8-27-16-7-4-11(19)9-13(16)17(23)21-18(28)20-14-6-5-12(26-2)10-15(14)22(24)25/h4-7,9-10H,3,8H2,1-2H3,(H2,20,21,23,28)