1-(3,5-dimethylpiperidin-1-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-propanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,5-dimethylpiperidino)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propan-1-one Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C19H27N3O2S/c1-5-24-15-6-7-16-17(9-15)21-19(20-16)25-14(4)18(23)22-10-12(2)8-13(3)11-22/h6-7,9,12-14H,5,8,10-11H2,1-4H3,(H,20,21)