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

Systemtic Name: (E)-3-(4-bromophenyl)-N-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-[[(2S)-2-(3-pyridyl)-1-piperidyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[[[(2S)-2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-[[(2S)-2-(3-pyridyl)piperidino]thiocarbamoyl]acrylamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4OS/c21-17-9-6-15(7-10-17)8-11-19(26)23-20(27)24-25-13-2-1-5-18(25)16-4-3-12-22-14-16/h3-4,6-12,14,18H,1-2,5,13H2,(H2,23,24,26,27)/b11-8+/t18-/m0/s1