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

Systemtic Name: tert-butyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)butanoate Openeye Name: tert-butyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)butanoate CAS Name: 4-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)butanoate Traditional Name: 4-(piperonylthiocarbamoylamino)butyric acid tert-butyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-17(2,3)23-15(20)5-4-8-18-16(24)19-10-12-6-7-13-14(9-12)22-11-21-13/h6-7,9H,4-5,8,10-11H2,1-3H3,(H2,18,19,24)