2-(butylamino)-N-[2-[[2-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide

Systemtic Name: 2-(butylamino)-N-[2-[[2-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide Openeye Name: 2-(butylamino)-N-[2-[[2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide CAS Name: 2-(butylamino)-N-[2-[[2-[[[4-(methylthio)phenyl]-oxomethyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide IUPAC Name: 2-(butylamino)-N-[2-[[2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide Traditional Name: 2-(butylamino)-N-[2-keto-2-[[2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]ethyl]-5-(trifluoromethyl)benzamide Formula: C28H35F3N4O3S MolecularWeight: 564.66271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)NC2CCCCC2NC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)NC2CCCCC2NC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C28H35F3N4O3S/c1-3-4-15-32-22-14-11-19(28(29,30)31)16-21(22)27(38)33-17-25(36)34-23-7-5-6-8-24(23)35-26(37)18-9-12-20(39-2)13-10-18/h9-14,16,23-24,32H,3-8,15,17H2,1-2H3,(H,33,38)(H,34,36)(H,35,37)