S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 5-fluoranyl-2-(trifluoromethyl)benzenecarbothioate

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 5-fluoranyl-2-(trifluoromethyl)benzenecarbothioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] 5-fluoro-2-(trifluoromethyl)benzenecarbothioate CAS Name: 5-fluoro-2-(trifluoromethyl)benzenecarbothioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 5-fluoro-2-(trifluoromethyl)benzenecarbothioate Traditional Name: 5-fluoro-2-(trifluoromethyl)thiobenzoic acid S-[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl] ester Formula: C17H12F4N2O3S MolecularWeight: 400.347393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)N)SC(=O)C2=C(C=CC(=C2)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)N)SC(=O)C2=C(C=CC(=C2)F)C(F)(F)F

InChI

InChI=1S/C17H12F4N2O3S/c18-9-5-6-12(17(19,20)21)11(7-9)16(26)27-13-4-2-1-3-10(13)15(25)23-8-14(22)24/h1-7H,8H2,(H2,22,24)(H,23,25)