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

Systemtic Name: 1-methyl-3-[4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]thiourea Openeye Name: 1-methyl-3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]thiourea CAS Name: 1-methyl-3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]thiourea IUPAC Name: 1-methyl-3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]thiourea Traditional Name: 1-[4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-methyl-thiourea Formula: C19H16F3N3OS MolecularWeight: 391.41005

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

CNC(=S)NC1=CC=C(C=C1)CC2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C19H16F3N3OS/c1-23-18(27)24-13-5-2-11(3-6-13)8-12-4-7-16-14(9-12)15(19(20,21)22)10-17(26)25-16/h2-7,9-10H,8H2,1H3,(H,25,26)(H2,23,24,27)