propan-2-yl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)-4-(methylthio)butyric acid isopropyl ester Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H22N2O4S2/c1-10(2)22-15(19)12(6-7-24-3)18-16(23)17-11-4-5-13-14(8-11)21-9-20-13/h4-5,8,10,12H,6-7,9H2,1-3H3,(H2,17,18,23)