tert-butyl N-(1,3-benzodioxol-5-ylcarbamothioylamino)carbamate

Systemtic Name: tert-butyl N-(1,3-benzodioxol-5-ylcarbamothioylamino)carbamate Openeye Name: tert-butyl N-(1,3-benzodioxol-5-ylcarbamothioylamino)carbamate CAS Name: N-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1,3-benzodioxol-5-ylcarbamothioylamino)carbamate Traditional Name: N-(1,3-benzodioxol-5-ylthiocarbamoylamino)carbamic acid tert-butyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-13(2,3)20-12(17)16-15-11(21)14-8-4-5-9-10(6-8)19-7-18-9/h4-6H,7H2,1-3H3,(H,16,17)(H2,14,15,21)