[2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxo-ethyl] 4-methyl-2-ureido-pentanoate CAS Name: 2-(carbamoylamino)-4-methylpentanoic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate Traditional Name: 4-methyl-2-ureido-valeric acid [2-[4-(difluoromethylthio)anilino]-2-keto-ethyl] ester Formula: C16H21F2N3O4S MolecularWeight: 389.417446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=CC=C(C=C1)SC(F)F)NC(=O)N

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=CC=C(C=C1)SC(F)F)NC(=O)N

InChI

InChI=1S/C16H21F2N3O4S/c1-9(2)7-12(21-16(19)24)14(23)25-8-13(22)20-10-3-5-11(6-4-10)26-15(17)18/h3-6,9,12,15H,7-8H2,1-2H3,(H,20,22)(H3,19,21,24)