methyl 1-[[3-(4-ethoxyphenyl)-2-sulfanylidene-benzimidazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-(4-ethoxyphenyl)-2-sulfanylidene-benzimidazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[3-(4-ethoxyphenyl)-2-thioxo-benzimidazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-ethoxyphenyl)-2-sulfanylidene-1-benzimidazolyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(4-ethoxyphenyl)-2-sulfanylidenebenzimidazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-p-phenetyl-2-thioxo-benzimidazol-1-yl)methyl]isonipecotic acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)CN4CCC(CC4)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)CN4CCC(CC4)C(=O)OC

InChI

InChI=1S/C23H27N3O3S/c1-3-29-19-10-8-18(9-11-19)26-21-7-5-4-6-20(21)25(23(26)30)16-24-14-12-17(13-15-24)22(27)28-2/h4-11,17H,3,12-16H2,1-2H3