1-[1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinolin-6-yl]-3-[2-(4-methylphenyl)ethyl]thiourea

Systemtic Name: 1-[1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinolin-6-yl]-3-[2-(4-methylphenyl)ethyl]thiourea Openeye Name: 1-[1-methyl-2-oxo-4-(trifluoromethyl)-6-quinolyl]-3-[2-(p-tolyl)ethyl]thiourea CAS Name: 1-[1-methyl-2-oxo-4-(trifluoromethyl)-6-quinolinyl]-3-[2-(4-methylphenyl)ethyl]thiourea IUPAC Name: 1-[1-methyl-2-oxo-4-(trifluoromethyl)quinolin-6-yl]-3-[2-(4-methylphenyl)ethyl]thiourea Traditional Name: 1-[2-keto-1-methyl-4-(trifluoromethyl)-6-quinolyl]-3-[2-(p-tolyl)ethyl]thiourea Formula: C21H20F3N3OS MolecularWeight: 419.46321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=S)NC2=CC3=C(C=C2)N(C(=O)C=C3C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=S)NC2=CC3=C(C=C2)N(C(=O)C=C3C(F)(F)F)C

InChI

InChI=1S/C21H20F3N3OS/c1-13-3-5-14(6-4-13)9-10-25-20(29)26-15-7-8-18-16(11-15)17(21(22,23)24)12-19(28)27(18)2/h3-8,11-12H,9-10H2,1-2H3,(H2,25,26,29)