tert-butyl N-[[2,6-bis(fluoranyl)phenyl]carbonylcarbamoyl-[4-(trifluoromethyl)phenyl]amino]sulfanyl-N-methyl-carbamate

Systemtic Name: tert-butyl N-[[2,6-bis(fluoranyl)phenyl]carbonylcarbamoyl-[4-(trifluoromethyl)phenyl]amino]sulfanyl-N-methyl-carbamate Openeye Name: tert-butyl N-[N-[(2,6-difluorobenzoyl)carbamoyl]-4-(trifluoromethyl)anilino]sulfanyl-N-methyl-carbamate CAS Name: N-[[N-[[[(2,6-difluorophenyl)-oxomethyl]amino]-oxomethyl]-4-(trifluoromethyl)anilino]thio]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N-[(2,6-difluorobenzoyl)carbamoyl]-4-(trifluoromethyl)anilino]sulfanyl-N-methylcarbamate Traditional Name: N-[[N-[(2,6-difluorobenzoyl)carbamoyl]-4-(trifluoromethyl)anilino]thio]-N-methyl-carbamic acid tert-butyl ester Formula: C21H20F5N3O4S MolecularWeight: 505.458216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)SN(C1=CC=C(C=C1)C(F)(F)F)C(=O)NC(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

CC(C)(C)OC(=O)N(C)SN(C1=CC=C(C=C1)C(F)(F)F)C(=O)NC(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C21H20F5N3O4S/c1-20(2,3)33-19(32)28(4)34-29(13-10-8-12(9-11-13)21(24,25)26)18(31)27-17(30)16-14(22)6-5-7-15(16)23/h5-11H,1-4H3,(H,27,30,31)