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

Systemtic Name: 1-(3-cyanophenyl)-3-[4-[(4-methoxyphenyl)amino]quinazolin-6-yl]thiourea Openeye Name: 1-(3-cyanophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]thiourea CAS Name: 1-(3-cyanophenyl)-3-[4-(4-methoxyanilino)-6-quinazolinyl]thiourea IUPAC Name: 1-(3-cyanophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]thiourea Traditional Name: 1-(3-cyanophenyl)-3-[4-(p-anisidino)quinazolin-6-yl]thiourea Formula: C23H18N6OS MolecularWeight: 426.49362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N6OS/c1-30-19-8-5-16(6-9-19)27-22-20-12-18(7-10-21(20)25-14-26-22)29-23(31)28-17-4-2-3-15(11-17)13-24/h2-12,14H,1H3,(H,25,26,27)(H2,28,29,31)