tert-butyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)butanoate

Systemtic Name: tert-butyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)butanoate Openeye Name: tert-butyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)butanoate CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)butanoate Traditional Name: 4-(1,3-benzodioxol-5-ylthiocarbamoylamino)butyric acid tert-butyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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