3-bromanyl-4-butoxy-N-[(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-(benzylcarbamothioyl)-3-bromo-4-butoxy-benzamide CAS Name: 3-bromo-4-butoxy-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-(benzylcarbamothioyl)-3-bromo-4-butoxybenzamide Traditional Name: N-(benzylthiocarbamoyl)-3-bromo-4-butoxy-benzamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C19H21BrN2O2S/c1-2-3-11-24-17-10-9-15(12-16(17)20)18(23)22-19(25)21-13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H2,21,22,23,25)