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

Systemtic Name: ethyl 1-[(3-propan-2-yl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-isopropyl-2-thioxo-benzimidazol-1-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-propan-2-yl-2-sulfanylidene-1-benzimidazolyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-propan-2-yl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-isopropyl-2-thioxo-benzimidazol-1-yl)methyl]isonipecotic acid ethyl ester Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-4-24-18(23)15-9-11-20(12-10-15)13-21-16-7-5-6-8-17(16)22(14(2)3)19(21)25/h5-8,14-15H,4,9-13H2,1-3H3