N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-3-phenyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-3-phenyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-3-phenyl-propanamide CAS Name: N-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-3-phenylpropanamide Traditional Name: 3-phenyl-N-(piperonylthiocarbamoyl)propionamide Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c21-17(9-7-13-4-2-1-3-5-13)20-18(24)19-11-14-6-8-15-16(10-14)23-12-22-15/h1-6,8,10H,7,9,11-12H2,(H2,19,20,21,24)