phenyl 1-(1-phenoxycarbonylpiperidin-4-yl)-4-sulfanyl-benzimidazole-2-carboxylate

Systemtic Name: phenyl 1-(1-phenoxycarbonylpiperidin-4-yl)-4-sulfanyl-benzimidazole-2-carboxylate Openeye Name: phenyl 1-(1-phenoxycarbonyl-4-piperidyl)-4-sulfanyl-benzimidazole-2-carboxylate CAS Name: 4-mercapto-1-[1-[oxo(phenoxy)methyl]-4-piperidinyl]-2-benzimidazolecarboxylic acid phenyl ester IUPAC Name: phenyl 1-(1-phenoxycarbonylpiperidin-4-yl)-4-sulfanylbenzimidazole-2-carboxylate Traditional Name: 1-(1-carbophenoxy-4-piperidyl)-4-mercapto-benzimidazole-2-carboxylic acid phenyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C(=CC=C3)S)N=C2C(=O)OC4=CC=CC=C4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C3=C(C(=CC=C3)S)N=C2C(=O)OC4=CC=CC=C4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O4S/c30-25(32-19-8-3-1-4-9-19)24-27-23-21(12-7-13-22(23)34)29(24)18-14-16-28(17-15-18)26(31)33-20-10-5-2-6-11-20/h1-13,18,34H,14-17H2