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

Systemtic Name: 1-(4-bromophenyl)-3-[4-[(3-methoxyphenyl)amino]quinazolin-6-yl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]thiourea CAS Name: 1-(4-bromophenyl)-3-[4-(3-methoxyanilino)-6-quinazolinyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]thiourea Traditional Name: 1-(4-bromophenyl)-3-[4-(m-anisidino)quinazolin-6-yl]thiourea Formula: C22H18BrN5OS MolecularWeight: 480.38022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN5OS/c1-29-18-4-2-3-16(11-18)26-21-19-12-17(9-10-20(19)24-13-25-21)28-22(30)27-15-7-5-14(23)6-8-15/h2-13H,1H3,(H,24,25,26)(H2,27,28,30)