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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-(benzylcarbamothioyl)-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-(benzylcarbamothioyl)-3-bromo-4-hexoxybenzamide Traditional Name: N-(benzylthiocarbamoyl)-3-bromo-4-hexoxy-benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-2-3-4-8-13-26-19-12-11-17(14-18(19)22)20(25)24-21(27)23-15-16-9-6-5-7-10-16/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H2,23,24,25,27)