ethyl 3-[[2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(3-pyridylmethylcarbamothioyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(3-pyridylmethylthiocarbamoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C16H23N5O2S2 MolecularWeight: 381.51612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C16H23N5O2S2/c1-2-23-14(22)6-8-18-15(24)20-9-4-10-21(20)16(25)19-12-13-5-3-7-17-11-13/h3,5,7,11H,2,4,6,8-10,12H2,1H3,(H,18,24)(H,19,25)