ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(piperonylthiocarbamoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N4O4S2/c1-2-24-16(23)6-7-19-17(27)21-8-3-9-22(21)18(28)20-11-13-4-5-14-15(10-13)26-12-25-14/h4-5,10H,2-3,6-9,11-12H2,1H3,(H,19,27)(H,20,28)