5-bromanyl-2-phenethyloxy-N-(1-phenylpropylcarbamothioyl)benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-(1-phenylpropylcarbamothioyl)benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-(1-phenylpropylcarbamothioyl)benzamide CAS Name: 5-bromo-2-phenethyloxy-N-[(1-phenylpropylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-(1-phenylpropylcarbamothioyl)benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-(1-phenylpropylthiocarbamoyl)benzamide Formula: C25H25BrN2O2S MolecularWeight: 497.4472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O2S/c1-2-22(19-11-7-4-8-12-19)27-25(31)28-24(29)21-17-20(26)13-14-23(21)30-16-15-18-9-5-3-6-10-18/h3-14,17,22H,2,15-16H2,1H3,(H2,27,28,29,31)