N-(1,3-benzodioxol-5-ylmethyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenylsulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(phenylthio)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-phenylsulfanylbutanamide Traditional Name: 4-(phenylthio)-N-piperonyl-butyramide Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCSC3=CC=CC=C3

InChI

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