1-(3-fluorophenyl)-3-[4-[(4-methoxyphenyl)amino]quinazolin-6-yl]thiourea

Systemtic Name: 1-(3-fluorophenyl)-3-[4-[(4-methoxyphenyl)amino]quinazolin-6-yl]thiourea Openeye Name: 1-(3-fluorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]thiourea CAS Name: 1-(3-fluorophenyl)-3-[4-(4-methoxyanilino)-6-quinazolinyl]thiourea IUPAC Name: 1-(3-fluorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]thiourea Traditional Name: 1-(3-fluorophenyl)-3-[4-(p-anisidino)quinazolin-6-yl]thiourea Formula: C22H18FN5OS MolecularWeight: 419.474623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=S)NC4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=S)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H18FN5OS/c1-29-18-8-5-15(6-9-18)26-21-19-12-17(7-10-20(19)24-13-25-21)28-22(30)27-16-4-2-3-14(23)11-16/h2-13H,1H3,(H,24,25,26)(H2,27,28,30)