3-bromanyl-4-hexoxy-N-(1-phenylpropylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-(1-phenylpropylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-hexoxy-N-(1-phenylpropylcarbamothioyl)benzamide CAS Name: 3-bromo-4-hexoxy-N-[(1-phenylpropylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-(1-phenylpropylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-hexoxy-N-(1-phenylpropylthiocarbamoyl)benzamide Formula: C23H29BrN2O2S MolecularWeight: 477.45756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O2S/c1-3-5-6-10-15-28-21-14-13-18(16-19(21)24)22(27)26-23(29)25-20(4-2)17-11-8-7-9-12-17/h7-9,11-14,16,20H,3-6,10,15H2,1-2H3,(H2,25,26,27,29)