3-bromanyl-4-butoxy-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(3-isobutoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(3-isobutoxyphenyl)thiocarbamoyl]benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(C)C)Br

InChI

InChI=1S/C22H27BrN2O3S/c1-4-5-11-27-20-10-9-16(12-19(20)23)21(26)25-22(29)24-17-7-6-8-18(13-17)28-14-15(2)3/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,25,26,29)