4-[bis(fluoranyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]benzamide Openeye Name: 4-(difluoromethylsulfanyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]benzamide CAS Name: 4-(difluoromethylthio)-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]benzamide IUPAC Name: 4-(difluoromethylsulfanyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide Traditional Name: 4-(difluoromethylthio)-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]benzamide Formula: C21H25F2N3OS MolecularWeight: 405.504506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)SC(F)F)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)SC(F)F)C

InChI

InChI=1S/C21H25F2N3OS/c1-3-25-10-12-26(13-11-25)17-6-9-19(15(2)14-17)24-20(27)16-4-7-18(8-5-16)28-21(22)23/h4-9,14,21H,3,10-13H2,1-2H3,(H,24,27)