5-bromanyl-2-hexoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[(4-isobutoxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[4-(2-methylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[(4-isobutoxyphenyl)thiocarbamoyl]benzamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrN2O3S/c1-4-5-6-7-14-29-22-13-8-18(25)15-21(22)23(28)27-24(31)26-19-9-11-20(12-10-19)30-16-17(2)3/h8-13,15,17H,4-7,14,16H2,1-3H3,(H2,26,27,28,31)