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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[(2R)-2-pyridin-3-ylpiperidin-1-yl]carbothioyl-prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[(2R)-2-(3-pyridyl)piperidine-1-carbothioyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[(2R)-2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[(2R)-2-pyridin-3-ylpiperidine-1-carbothioyl]prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-[(2R)-2-(3-pyridyl)piperidine-1-carbothioyl]acrylamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-26-18-10-7-16(8-11-18)9-12-20(25)23-21(27)24-14-3-2-6-19(24)17-5-4-13-22-15-17/h4-5,7-13,15,19H,2-3,6,14H2,1H3,(H,23,25,27)/b12-9+/t19-/m1/s1