3-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C20H21BrClN3O4S MolecularWeight: 514.82044

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)Cl)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O4S/c1-2-3-4-5-10-29-18-9-6-13(11-15(18)21)19(26)24-20(30)23-14-7-8-16(22)17(12-14)25(27)28/h6-9,11-12H,2-5,10H2,1H3,(H2,23,24,26,30)