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

Systemtic Name: methyl 1-[(3-phenyl-2-sulfanylidene-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-26-20(25)16-11-13-22(14-12-16)15-23-18-9-5-6-10-19(18)24(21(23)27)17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3