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

Systemtic Name: 1-[4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-phenethyl-thiourea Openeye Name: 1-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-phenethyl-thiourea CAS Name: 1-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-phenethylthiourea IUPAC Name: 1-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-phenethylthiourea Traditional Name: 1-[4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]-3-phenethyl-thiourea Formula: C26H22F3N3OS MolecularWeight: 481.53259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)CC3=CC4=C(C=C3)NC(=O)C=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)CC3=CC4=C(C=C3)NC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C26H22F3N3OS/c27-26(28,29)22-16-24(33)32-23-11-8-19(15-21(22)23)14-18-6-9-20(10-7-18)31-25(34)30-13-12-17-4-2-1-3-5-17/h1-11,15-16H,12-14H2,(H,32,33)(H2,30,31,34)