N-[2-[[2-[(4-methylsulfanylphenyl)methylamino]cyclohexyl]amino]-2-oxidanylidene-ethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[[2-[(4-methylsulfanylphenyl)methylamino]cyclohexyl]amino]-2-oxidanylidene-ethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide Openeye Name: 2-(isopropylcarbamoylamino)-N-[2-[[2-[(4-methylsulfanylphenyl)methylamino]cyclohexyl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide CAS Name: N-[2-[[2-[[4-(methylthio)phenyl]methylamino]cyclohexyl]amino]-2-oxoethyl]-2-[[oxo-(propan-2-ylamino)methyl]amino]-5-(trifluoromethyl)benzamide IUPAC Name: N-[2-[[2-[(4-methylsulfanylphenyl)methylamino]cyclohexyl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide Traditional Name: 2-(isopropylcarbamoylamino)-N-[2-keto-2-[[2-[[4-(methylthio)benzyl]amino]cyclohexyl]amino]ethyl]-5-(trifluoromethyl)benzamide Formula: C28H36F3N5O3S MolecularWeight: 579.67735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)NC2CCCCC2NCC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)NC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)NC2CCCCC2NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C28H36F3N5O3S/c1-17(2)34-27(39)36-22-13-10-19(28(29,30)31)14-21(22)26(38)33-16-25(37)35-24-7-5-4-6-23(24)32-15-18-8-11-20(40-3)12-9-18/h8-14,17,23-24,32H,4-7,15-16H2,1-3H3,(H,33,38)(H,35,37)(H2,34,36,39)