3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl(benzyl)amino]propanamide CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl(benzyl)amino]propanamide Traditional Name: 3-[benzyl(piperonylthiocarbamoyl)amino]propionamide Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c20-18(23)8-9-22(12-14-4-2-1-3-5-14)19(26)21-11-15-6-7-16-17(10-15)25-13-24-16/h1-7,10H,8-9,11-13H2,(H2,20,23)(H,21,26)