5-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 5-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]-1,3-dihydrobenzimidazole-2-thione Openeye Name: 5-[4-(4-benzyl-1-piperidyl)but-1-ynyl]-1,3-dihydrobenzimidazole-2-thione CAS Name: 5-[4-[4-(phenylmethyl)-1-piperidinyl]but-1-ynyl]-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 5-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]-1,3-dihydrobenzimidazole-2-thione Traditional Name: 5-[4-(4-benzylpiperidino)but-1-ynyl]-1,3-dihydrobenzimidazole-2-thione Formula: C23H25N3S MolecularWeight: 375.5297

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC4=C(C=C3)NC(=S)N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC4=C(C=C3)NC(=S)N4

InChI

InChI=1S/C23H25N3S/c27-23-24-21-10-9-19(17-22(21)25-23)8-4-5-13-26-14-11-20(12-15-26)16-18-6-2-1-3-7-18/h1-3,6-7,9-10,17,20H,5,11-16H2,(H2,24,25,27)