tert-butyl N-[2-[[2-[[2-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate

Systemtic Name: tert-butyl N-[2-[[2-[[2-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate Openeye Name: tert-butyl N-[2-[[2-[[2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxo-ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate CAS Name: N-[2-[[[2-[[2-[[[4-(methylthio)phenyl]-oxomethyl]amino]cyclohexyl]amino]-2-oxoethyl]amino]-oxomethyl]-4-(trifluoromethyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[2-[[2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamate Traditional Name: N-[2-[[2-keto-2-[[2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]ethyl]carbamoyl]-4-(trifluoromethyl)phenyl]carbamic acid tert-butyl ester Formula: C29H35F3N4O5S MolecularWeight: 608.67221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)NC2CCCCC2NC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)NC2CCCCC2NC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C29H35F3N4O5S/c1-28(2,3)41-27(40)36-21-14-11-18(29(30,31)32)15-20(21)26(39)33-16-24(37)34-22-7-5-6-8-23(22)35-25(38)17-9-12-19(42-4)13-10-17/h9-15,22-23H,5-8,16H2,1-4H3,(H,33,39)(H,34,37)(H,35,38)(H,36,40)