1-[[4-oxidanylidene-8-(trifluoromethyl)-1H-quinolin-3-yl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[4-oxidanylidene-8-(trifluoromethyl)-1H-quinolin-3-yl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]thiourea CAS Name: 1-[[oxo-[4-oxo-8-(trifluoromethyl)-1H-quinolin-3-yl]methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]thiourea Traditional Name: 1-benzyl-3-[[4-keto-8-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]thiourea Formula: C19H15F3N4O2S MolecularWeight: 420.40821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CNC3=C(C2=O)C=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)C2=CNC3=C(C2=O)C=CC=C3C(F)(F)F

InChI

InChI=1S/C19H15F3N4O2S/c20-19(21,22)14-8-4-7-12-15(14)23-10-13(16(12)27)17(28)25-26-18(29)24-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,23,27)(H,25,28)(H2,24,26,29)