4-[[4-chloranyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Openeye Name: 4-[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-isopentyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(3-methylbutyl)benzamide IUPAC Name: 4-[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Traditional Name: 4-[[[4-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazino]pyrimidin-2-yl]thio]methyl]-N-isoamyl-benzamide Formula: C28H31ClF3N5OS MolecularWeight: 578.09185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C28H31ClF3N5OS/c1-19(2)10-11-33-26(38)21-8-6-20(7-9-21)18-39-27-34-24(29)17-25(35-27)37-14-12-36(13-15-37)23-5-3-4-22(16-23)28(30,31)32/h3-9,16-17,19H,10-15,18H2,1-2H3,(H,33,38)