5-bromanyl-N-[(3-nitrophenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-nitrophenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-nitrophenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(3-nitroanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-nitrophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-nitrophenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C22H18BrN3O4S MolecularWeight: 500.36502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18BrN3O4S/c23-16-9-10-20(30-12-11-15-5-2-1-3-6-15)19(13-16)21(27)25-22(31)24-17-7-4-8-18(14-17)26(28)29/h1-10,13-14H,11-12H2,(H2,24,25,27,31)