(E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-pyridin-3-ylpiperidin-1-yl]carbothioyl-prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-pyridin-3-ylpiperidin-1-yl]carbothioyl-prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(3-pyridyl)piperidine-1-carbothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2R)-2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-pyridin-3-ylpiperidine-1-carbothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(3-pyridyl)piperidine-1-carbothioyl]acrylamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)N2CCCCC2C3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)N2CCCC[C@@H]2C3=CN=CC=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-19-10-8-16(14-20(19)28-2)9-11-21(26)24-22(29)25-13-4-3-7-18(25)17-6-5-12-23-15-17/h5-6,8-12,14-15,18H,3-4,7,13H2,1-2H3,(H,24,26,29)/b11-9+/t18-/m1/s1