N-[[1-(4-cyclopropylpiperazin-1-yl)cyclobutyl]-phenyl-methyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide

Systemtic Name: N-[[1-(4-cyclopropylpiperazin-1-yl)cyclobutyl]-phenyl-methyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide Openeye Name: N-[[1-(4-cyclopropylpiperazin-1-yl)cyclobutyl]-phenyl-methyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide CAS Name: N-[[1-(4-cyclopropyl-1-piperazinyl)cyclobutyl]-phenylmethyl]-2-methoxy-6-(methylthio)-4-(trifluoromethyl)benzamide IUPAC Name: N-[[1-(4-cyclopropylpiperazin-1-yl)cyclobutyl]-phenylmethyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide Traditional Name: N-[[1-(4-cyclopropylpiperazino)cyclobutyl]-phenyl-methyl]-2-methoxy-6-(methylthio)-4-(trifluoromethyl)benzamide Formula: C28H34F3N3O2S MolecularWeight: 533.64867

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(F)(F)F)SC)C(=O)NC(C2=CC=CC=C2)C3(CCC3)N4CCN(CC4)C5CC5

Isomeric SMILES

COC1=C(C(=CC(=C1)C(F)(F)F)SC)C(=O)NC(C2=CC=CC=C2)C3(CCC3)N4CCN(CC4)C5CC5

InChI

InChI=1S/C28H34F3N3O2S/c1-36-22-17-20(28(29,30)31)18-23(37-2)24(22)26(35)32-25(19-7-4-3-5-8-19)27(11-6-12-27)34-15-13-33(14-16-34)21-9-10-21/h3-5,7-8,17-18,21,25H,6,9-16H2,1-2H3,(H,32,35)