potassium 1-(4-acetamidophenyl)carbonyl-4,5,6,7-tetrahydrobenzimidazole-2-thiolate

Systemtic Name: potassium 1-(4-acetamidophenyl)carbonyl-4,5,6,7-tetrahydrobenzimidazole-2-thiolate Openeye Name: potassium 1-(4-acetamidobenzoyl)-4,5,6,7-tetrahydrobenzimidazole-2-thiolate CAS Name: potassium 1-[(4-acetamidophenyl)-oxomethyl]-4,5,6,7-tetrahydrobenzimidazole-2-thiolate IUPAC Name: potassium 1-(4-acetamidobenzoyl)-4,5,6,7-tetrahydrobenzimidazole-2-thiolate Traditional Name: potassium 1-(4-acetamidobenzoyl)-4,5,6,7-tetrahydrobenzimidazole-2-thiolate Formula: C16H16KN3O2S MolecularWeight: 353.48044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)N2C3=C(CCCC3)N=C2[S-].[K+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N2C3=C(CCCC3)N=C2[S-].[K+]

InChI

InChI=1S/C16H17N3O2S.K/c1-10(20)17-12-8-6-11(7-9-12)15(21)19-14-5-3-2-4-13(14)18-16(19)22;/h6-9H,2-5H2,1H3,(H,17,20)(H,18,22);/q;+1/p-1