(4S,6S)-5-[(4-chlorophenyl)carbamothioyl]-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

Systemtic Name: (4S,6S)-5-[(4-chlorophenyl)carbamothioyl]-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Openeye Name: (4S,6S)-5-[(4-chlorophenyl)carbamothioyl]-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate CAS Name: (4S,6S)-5-[(4-chloroanilino)-sulfanylidenemethyl]-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate IUPAC Name: (4S,6S)-5-[(4-chlorophenyl)carbamothioyl]-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Traditional Name: (4S,6S)-5-[(4-chlorophenyl)thiocarbamoyl]-4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Formula: C20H16ClN4O2S- MolecularWeight: 411.88464

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C2=C1NC=N2)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1[C@H](N([C@H](C2=C1NC=N2)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C20H17ClN4O2S/c21-13-6-8-14(9-7-13)24-20(28)25-16(19(26)27)10-15-17(23-11-22-15)18(25)12-4-2-1-3-5-12/h1-9,11,16,18H,10H2,(H,22,23)(H,24,28)(H,26,27)/p-1/t16-,18-/m0/s1