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

Systemtic Name: (E)-3-phenyl-N-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[[(2S)-2-(3-pyridyl)-1-piperidyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-phenyl-N-[[[(2S)-2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-phenyl-N-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[[(2S)-2-(3-pyridyl)piperidino]thiocarbamoyl]acrylamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCN([C@@H](C1)C2=CN=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c25-19(12-11-16-7-2-1-3-8-16)22-20(26)23-24-14-5-4-10-18(24)17-9-6-13-21-15-17/h1-3,6-9,11-13,15,18H,4-5,10,14H2,(H2,22,23,25,26)/b12-11+/t18-/m0/s1