S-[2-oxidanylidene-2-[[3-(trifluoromethyl)pyridin-4-yl]amino]ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate

Systemtic Name: S-[2-oxidanylidene-2-[[3-(trifluoromethyl)pyridin-4-yl]amino]ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Openeye Name: S-[2-oxo-2-[[3-(trifluoromethyl)-4-pyridyl]amino]ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate CAS Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-oxo-2-[[3-(trifluoromethyl)-4-pyridinyl]amino]ethyl] ester IUPAC Name: S-[2-oxo-2-[[3-(trifluoromethyl)pyridin-4-yl]amino]ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate Traditional Name: 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioic acid S-[2-keto-2-[[3-(trifluoromethyl)-4-pyridyl]amino]ethyl] ester Formula: C19H18F3N3O2S MolecularWeight: 409.42533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=C(C=NC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC3=C(C=NC=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O2S/c1-12-4-5-16-13(9-12)3-2-8-25(16)18(27)28-11-17(26)24-15-6-7-23-10-14(15)19(20,21)22/h4-7,9-10H,2-3,8,11H2,1H3,(H,23,24,26)