[1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[bis(fluoranyl)methylsulfanyl]benzoate

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[bis(fluoranyl)methylsulfanyl]benzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(difluoromethylsulfanyl)benzoate CAS Name: 4-(difluoromethylthio)benzoic acid [1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethylsulfanyl)benzoate Traditional Name: 4-(difluoromethylthio)benzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22F2N2O4S MolecularWeight: 400.440086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C18H22F2N2O4S/c1-11(15(23)22-18(25)21-13-5-3-2-4-6-13)26-16(24)12-7-9-14(10-8-12)27-17(19)20/h7-11,13,17H,2-6H2,1H3,(H2,21,22,23,25)