O-(2-phenylmethoxyethyl) 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioate

Systemtic Name: O-(2-phenylmethoxyethyl) 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioate Openeye Name: O-(2-benzyloxyethyl) 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioate CAS Name: 4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioic acid O-(2-phenylmethoxyethyl) ester IUPAC Name: O-(2-phenylmethoxyethyl) 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioate Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioic acid O-(2-benzoxyethyl) ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)OCCOCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)OCCOCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-21-23-19-8-4-5-9-20(19)25(21)18-10-12-24(13-11-18)22(29)28-15-14-27-16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26)