ethyl 1-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-phenyl-2-thioxo-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-phenyl-2-thioxo-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]isonipecotic acid ethyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C3=C(CCCC3)N(C2=S)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C3=C(CCCC3)N(C2=S)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O2S/c1-2-27-21(26)17-12-14-23(15-13-17)16-24-19-10-6-7-11-20(19)25(22(24)28)18-8-4-3-5-9-18/h3-5,8-9,17H,2,6-7,10-16H2,1H3