[4-(aminocarbonylamino)-3-(methoxycarbonylcarbamothioylamino)phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-(aminocarbonylamino)-3-(methoxycarbonylcarbamothioylamino)phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-(methoxycarbonylcarbamothioylamino)-4-ureido-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-(carbamoylamino)-3-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [4-(carbamoylamino)-3-(methoxycarbonylcarbamothioylamino)phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-(carbomethoxythiocarbamoylamino)-4-ureido-phenyl] ester Formula: C17H15F3N4O6S2 MolecularWeight: 492.44941

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)NC(=O)N

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)NC(=O)N

InChI

InChI=1S/C17H15F3N4O6S2/c1-29-16(26)24-15(31)23-13-8-10(5-6-12(13)22-14(21)25)30-32(27,28)11-4-2-3-9(7-11)17(18,19)20/h2-8H,1H3,(H3,21,22,25)(H2,23,24,26,31)