methyl 6-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)hexanoate CAS Name: 6-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)hexanoate Traditional Name: 6-(piperonylthiocarbamoylamino)hexanoic acid methyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H22N2O4S/c1-20-15(19)5-3-2-4-8-17-16(23)18-10-12-6-7-13-14(9-12)22-11-21-13/h6-7,9H,2-5,8,10-11H2,1H3,(H2,17,18,23)