3-phenyl-2-(pyridin-3-ylcarbothioylamino)propanoic acid

Systemtic Name: 3-phenyl-2-(pyridin-3-ylcarbothioylamino)propanoic acid Openeye Name: 3-phenyl-2-(pyridine-3-carbothioylamino)propanoic acid CAS Name: 3-phenyl-2-[[3-pyridinyl(sulfanylidene)methyl]amino]propanoic acid IUPAC Name: 3-phenyl-2-(pyridine-3-carbothioylamino)propanoic acid Traditional Name: 3-phenyl-2-(pyridine-3-carbothioylamino)propionic acid Formula: C15H14N2O2S MolecularWeight: 286.34886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2S/c18-15(19)13(9-11-5-2-1-3-6-11)17-14(20)12-7-4-8-16-10-12/h1-8,10,13H,9H2,(H,17,20)(H,18,19)