S-[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] 2-(trifluoromethyl)benzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] 2-(trifluoromethyl)benzenecarbothioate Openeye Name: S-[2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]phenyl] 2-(trifluoromethyl)benzenecarbothioate CAS Name: 2-(trifluoromethyl)benzenecarbothioic acid S-[2-[[[(2S)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]phenyl] 2-(trifluoromethyl)benzenecarbothioate Traditional Name: 2-(trifluoromethyl)thiobenzoic acid S-[2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]phenyl] ester Formula: C18H15F3N2O3S MolecularWeight: 396.38351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H15F3N2O3S/c1-10(15(22)24)23-16(25)12-7-3-5-9-14(12)27-17(26)11-6-2-4-8-13(11)18(19,20)21/h2-10H,1H3,(H2,22,24)(H,23,25)/t10-/m0/s1