N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)sulfanylpropanamide Traditional Name: 2-[(4-bromophenyl)thio]-N-piperonyl-propionamide Formula: C17H16BrNO3S MolecularWeight: 394.28284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrNO3S/c1-11(23-14-5-3-13(18)4-6-14)17(20)19-9-12-2-7-15-16(8-12)22-10-21-15/h2-8,11H,9-10H2,1H3,(H,19,20)