(E)-3-(4-bromophenyl)-N-(2-pyridin-3-ylpiperidin-1-yl)carbothioyl-prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-N-(2-pyridin-3-ylpiperidin-1-yl)carbothioyl-prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-[2-(3-pyridyl)piperidine-1-carbothioyl]prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-[2-(3-pyridyl)piperidine-1-carbothioyl]acrylamide Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3OS/c21-17-9-6-15(7-10-17)8-11-19(25)23-20(26)24-13-2-1-5-18(24)16-4-3-12-22-14-16/h3-4,6-12,14,18H,1-2,5,13H2,(H,23,25,26)/b11-8+