2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanoic acid

Systemtic Name: 2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanoic acid Openeye Name: 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]acetic acid CAS Name: 2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]acetic acid Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]acetic acid Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC(=O)O

InChI

InChI=1S/C16H17N3O2S/c20-15(21)10-18-16(22)19(11-13-5-2-1-3-6-13)12-14-7-4-8-17-9-14/h1-9H,10-12H2,(H,18,22)(H,20,21)