N-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethylthio)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-benzylsulfanylpropanamide Traditional Name: 3-(benzylthio)-N-piperonyl-propionamide Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C18H19NO3S/c20-18(8-9-23-12-14-4-2-1-3-5-14)19-11-15-6-7-16-17(10-15)22-13-21-16/h1-7,10H,8-9,11-13H2,(H,19,20)