2-(phenylcarbamothioylamino)-3-piperidin-1-yl-propanoic acid

Systemtic Name: 2-(phenylcarbamothioylamino)-3-piperidin-1-yl-propanoic acid Openeye Name: 2-(phenylcarbamothioylamino)-3-(1-piperidyl)propanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-3-(1-piperidinyl)propanoic acid IUPAC Name: 2-(phenylcarbamothioylamino)-3-piperidin-1-ylpropanoic acid Traditional Name: 2-(phenylthiocarbamoylamino)-3-piperidino-propionic acid Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(C(=O)O)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1CCN(CC1)CC(C(=O)O)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C15H21N3O2S/c19-14(20)13(11-18-9-5-2-6-10-18)17-15(21)16-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,19,20)(H2,16,17,21)