N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-chlorophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-chlorophenyl)sulfanyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-chlorophenyl)sulfanyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-chlorophenyl)thio]propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-chlorophenyl)sulfanylpropanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-homopiperonyl-propionamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO3S/c19-14-2-4-15(5-3-14)24-10-8-18(21)20-9-7-13-1-6-16-17(11-13)23-12-22-16/h1-6,11H,7-10,12H2,(H,20,21)