2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoranyl-4-(4-phenylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoranyl-4-(4-phenylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(2,4-dimethylphenyl)thio]-N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(2,4-dimethylphenyl)thio]-N-[3-fluoro-4-(4-phenylpiperazino)phenyl]acetamide Formula: C26H28FN3OS MolecularWeight: 449.583423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)F)C

InChI

InChI=1S/C26H28FN3OS/c1-19-8-11-25(20(2)16-19)32-18-26(31)28-21-9-10-24(23(27)17-21)30-14-12-29(13-15-30)22-6-4-3-5-7-22/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,31)