3-bromanyl-N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[(3-chloro-2-methyl-phenyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H24BrClN2O2S MolecularWeight: 483.84946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)C)Br

InChI

InChI=1S/C21H24BrClN2O2S/c1-3-4-5-6-12-27-19-11-10-15(13-16(19)22)20(26)25-21(28)24-18-9-7-8-17(23)14(18)2/h7-11,13H,3-6,12H2,1-2H3,(H2,24,25,26,28)