3-[4-(2-methylsulfonylphenyl)phenyl]-1-[[3-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]amino]-1-[[4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 3-[4-(2-methylsulfonylphenyl)phenyl]-1-[[3-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]amino]-1-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-[3-[(Z)-N'-hydroxycarbamimidoyl]anilino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-[3-[(Z)-amino(hydroxyimino)methyl]anilino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-[3-[(Z)-N'-hydroxycarbamimidoyl]anilino]-3-[4-(2-methylsulfonylphenyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-[3-[(Z)-aminocarbohydroximoyl]anilino]-3-[4-(2-mesylphenyl)phenyl]-1-[4-(trifluoromethyl)benzyl]urea Formula: C29H26F3N5O4S MolecularWeight: 597.60805

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(CC3=CC=C(C=C3)C(F)(F)F)NC4=CC=CC(=C4)C(=NO)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)N(CC3=CC=C(C=C3)C(F)(F)F)NC4=CC=CC(=C4)/C(=N/O)/N

InChI

InChI=1S/C29H26F3N5O4S/c1-42(40,41)26-8-3-2-7-25(26)20-11-15-23(16-12-20)34-28(38)37(18-19-9-13-22(14-10-19)29(30,31)32)35-24-6-4-5-21(17-24)27(33)36-39/h2-17,35,39H,18H2,1H3,(H2,33,36)(H,34,38)