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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2S)-2-(3-pyridyl)-1-piperidyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[(2S)-2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2S)-2-(3-pyridyl)piperidino]thiocarbamoyl]acrylamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-28-19-10-8-16(14-20(19)29-2)9-11-21(27)24-22(30)25-26-13-4-3-7-18(26)17-6-5-12-23-15-17/h5-6,8-12,14-15,18H,3-4,7,13H2,1-2H3,(H2,24,25,27,30)/b11-9+/t18-/m0/s1