S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 3,5-bis(trifluoromethyl)benzenecarbothioate

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 3,5-bis(trifluoromethyl)benzenecarbothioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] 3,5-bis(trifluoromethyl)benzenecarbothioate CAS Name: 3,5-bis(trifluoromethyl)benzenecarbothioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 3,5-bis(trifluoromethyl)benzenecarbothioate Traditional Name: 3,5-bis(trifluoromethyl)thiobenzoic acid S-[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl] ester Formula: C18H12F6N2O3S MolecularWeight: 450.354899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F6N2O3S/c19-17(20,21)10-5-9(6-11(7-10)18(22,23)24)16(29)30-13-4-2-1-3-12(13)15(28)26-8-14(25)27/h1-7H,8H2,(H2,25,27)(H,26,28)