N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-bromophenyl)methylsulfanyl]benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-bromophenyl)methylsulfanyl]benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-bromophenyl)methylsulfanyl]benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-bromophenyl)methylthio]benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-bromophenyl)methylsulfanyl]benzamide Traditional Name: 2-[(4-bromobenzyl)thio]-N-homopiperonyl-benzamide Formula: C23H20BrNO3S MolecularWeight: 470.3788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrNO3S/c24-18-8-5-17(6-9-18)14-29-22-4-2-1-3-19(22)23(26)25-12-11-16-7-10-20-21(13-16)28-15-27-20/h1-10,13H,11-12,14-15H2,(H,25,26)