5-bromanyl-2-butoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[(3-phenethyloxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(3-phenethyloxyphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[(3-phenethyloxyphenyl)thiocarbamoyl]benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O3S/c1-2-3-15-32-24-13-12-20(27)17-23(24)25(30)29-26(33)28-21-10-7-11-22(18-21)31-16-14-19-8-5-4-6-9-19/h4-13,17-18H,2-3,14-16H2,1H3,(H2,28,29,30,33)