2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]acetamide CAS Name: 2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-(5-bromo-2-pyridyl)piperazino]acetamide Formula: C20H23BrN4OS MolecularWeight: 447.39182

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4OS/c1-2-13-27-18-6-4-3-5-17(18)23-20(26)15-24-9-11-25(12-10-24)19-8-7-16(21)14-22-19/h2-8,14H,1,9-13,15H2,(H,23,26)