2-(pyridin-3-ylcarbamothioylamino)-3-pyrrolidin-1-yl-propanoic acid

Systemtic Name: 2-(pyridin-3-ylcarbamothioylamino)-3-pyrrolidin-1-yl-propanoic acid Openeye Name: 2-(3-pyridylcarbamothioylamino)-3-pyrrolidin-1-yl-propanoic acid CAS Name: 2-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]-3-(1-pyrrolidinyl)propanoic acid IUPAC Name: 2-(pyridin-3-ylcarbamothioylamino)-3-pyrrolidin-1-ylpropanoic acid Traditional Name: 2-(3-pyridylthiocarbamoylamino)-3-pyrrolidino-propionic acid Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(C(=O)O)NC(=S)NC2=CN=CC=C2

Isomeric SMILES

C1CCN(C1)CC(C(=O)O)NC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C13H18N4O2S/c18-12(19)11(9-17-6-1-2-7-17)16-13(20)15-10-4-3-5-14-8-10/h3-5,8,11H,1-2,6-7,9H2,(H,18,19)(H2,15,16,20)