N-(1,3-benzodioxol-5-ylmethyl)-2-phenylsulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylsulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylsulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(phenylthio)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylsulfanylpropanamide Traditional Name: 2-(phenylthio)-N-piperonyl-propionamide Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3S/c1-12(22-14-5-3-2-4-6-14)17(19)18-10-13-7-8-15-16(9-13)21-11-20-15/h2-9,12H,10-11H2,1H3,(H,18,19)