2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]acetamide Formula: C23H28FN3O2S MolecularWeight: 429.550723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC=C)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC=C)F

InChI

InChI=1S/C23H28FN3O2S/c1-3-14-30-22-7-5-4-6-20(22)25-23(28)17-27-12-10-26(11-13-27)16-18-8-9-21(29-2)19(24)15-18/h3-9,15H,1,10-14,16-17H2,2H3,(H,25,28)