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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3N(C2=S)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C3=CC=CC=C3N(C2=S)C4=CC=C(C=C4)OC

InChI

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