(6S)-5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

Systemtic Name: (6S)-5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Openeye Name: (6S)-5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate CAS Name: (6S)-5-[anilino(sulfanylidene)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate IUPAC Name: (6S)-5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Traditional Name: (6S)-5-(phenylthiocarbamoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Formula: C14H13N4O2S- MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1N=CN2)C(=S)NC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1[C@H](N(CC2=C1N=CN2)C(=S)NC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C14H14N4O2S/c19-13(20)12-6-10-11(16-8-15-10)7-18(12)14(21)17-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,15,16)(H,17,21)(H,19,20)/p-1/t12-/m0/s1