N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,5-dimethylphenoxy)propylthio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]acetamide Traditional Name: 2-[3-(3,5-dimethylphenoxy)propylthio]-N-piperonyl-acetamide Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSCC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSCC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H25NO4S/c1-15-8-16(2)10-18(9-15)24-6-3-7-27-13-21(23)22-12-17-4-5-19-20(11-17)26-14-25-19/h4-5,8-11H,3,6-7,12-14H2,1-2H3,(H,22,23)