N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)phenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)phenyl]-3,3-dimethyl-butanamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylthio)phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)phenyl]-3,3-dimethylbutanamide Traditional Name: 3,3-dimethyl-N-[2-(piperonylthio)phenyl]butyramide Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=CC=C1SCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=CC=C1SCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23NO3S/c1-20(2,3)11-19(22)21-15-6-4-5-7-18(15)25-12-14-8-9-16-17(10-14)24-13-23-16/h4-10H,11-13H2,1-3H3,(H,21,22)