S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2-(trifluoromethyl)benzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2-(trifluoromethyl)benzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 2-(trifluoromethyl)benzenecarbothioate CAS Name: 2-(trifluoromethyl)benzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 2-(trifluoromethyl)benzenecarbothioate Traditional Name: 2-(trifluoromethyl)thiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C18H15F3N2O3S MolecularWeight: 396.38351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O3S/c19-18(20,21)13-7-3-1-5-11(13)17(26)27-14-8-4-2-6-12(14)16(25)23-10-9-15(22)24/h1-8H,9-10H2,(H2,22,24)(H,23,25)