N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(4-methylsulfanylphenyl)-4-oxo-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[4-(methylthio)phenyl]-4-oxobutanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(4-methylsulfanylphenyl)-4-oxobutanamide Traditional Name: 4-keto-N-methyl-4-[4-(methylthio)phenyl]-N-piperonyl-butyramide Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21NO4S/c1-21(12-14-3-9-18-19(11-14)25-13-24-18)20(23)10-8-17(22)15-4-6-16(26-2)7-5-15/h3-7,9,11H,8,10,12-13H2,1-2H3