tert-butyl 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]ethanoate Openeye Name: tert-butyl 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]acetate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]acetate Traditional Name: 2-[methyl(piperonylthiocarbamoyl)amino]acetic acid tert-butyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H22N2O4S/c1-16(2,3)22-14(19)9-18(4)15(23)17-8-11-5-6-12-13(7-11)21-10-20-12/h5-7H,8-10H2,1-4H3,(H,17,23)