methyl 4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamothioyl]amino]butanoate CAS Name: 4-[[[1,3-benzodioxol-5-ylmethyl(methyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamothioyl]amino]butanoate Traditional Name: 4-[[methyl(piperonyl)thiocarbamoyl]amino]butyric acid methyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=S)NCCCC(=O)OC

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H20N2O4S/c1-17(15(22)16-7-3-4-14(18)19-2)9-11-5-6-12-13(8-11)21-10-20-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,16,22)