4-(pyridin-3-ylcarbamothioylamino)butanoic acid

Systemtic Name: 4-(pyridin-3-ylcarbamothioylamino)butanoic acid Openeye Name: 4-(3-pyridylcarbamothioylamino)butanoic acid CAS Name: 4-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-(pyridin-3-ylcarbamothioylamino)butanoic acid Traditional Name: 4-(3-pyridylthiocarbamoylamino)butyric acid Formula: C10H13N3O2S MolecularWeight: 239.29412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=S)NCCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)NC(=S)NCCCC(=O)O

InChI

InChI=1S/C10H13N3O2S/c14-9(15)4-2-6-12-10(16)13-8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,14,15)(H2,12,13,16)