3-bromanyl-4-hexoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[(4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(4-nitrophenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C20H22BrN3O4S/c1-2-3-4-5-12-28-18-11-6-14(13-17(18)21)19(25)23-20(29)22-15-7-9-16(10-8-15)24(26)27/h6-11,13H,2-5,12H2,1H3,(H2,22,23,25,29)