1-phenyl-3-[4-[[3-(trifluoromethyl)phenyl]amino]quinazolin-6-yl]thiourea

Systemtic Name: 1-phenyl-3-[4-[[3-(trifluoromethyl)phenyl]amino]quinazolin-6-yl]thiourea Openeye Name: 1-phenyl-3-[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]thiourea CAS Name: 1-phenyl-3-[4-[3-(trifluoromethyl)anilino]-6-quinazolinyl]thiourea IUPAC Name: 1-phenyl-3-[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]thiourea Traditional Name: 1-phenyl-3-[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]thiourea Formula: C22H16F3N5S MolecularWeight: 439.45615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N5S/c23-22(24,25)14-5-4-8-16(11-14)28-20-18-12-17(9-10-19(18)26-13-27-20)30-21(31)29-15-6-2-1-3-7-15/h1-13H,(H,26,27,28)(H2,29,30,31)