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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[[(2R)-2-(3-pyridyl)-1-piperidyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[[(2R)-2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-methoxyphenyl)-N-[[(2R)-2-(3-pyridyl)piperidino]thiocarbamoyl]acrylamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NN2CCCCC2C3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NN2CCCC[C@@H]2C3=CN=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-27-18-10-7-16(8-11-18)9-12-20(26)23-21(28)24-25-14-3-2-6-19(25)17-5-4-13-22-15-17/h4-5,7-13,15,19H,2-3,6,14H2,1H3,(H2,23,24,26,28)/b12-9+/t19-/m1/s1