1-[4-[6-bromanyl-4-oxidanylidene-2-(phenoxymethyl)quinazolin-3-yl]phenyl]-3-(4-chlorophenyl)thiourea

Systemtic Name: 1-[4-[6-bromanyl-4-oxidanylidene-2-(phenoxymethyl)quinazolin-3-yl]phenyl]-3-(4-chlorophenyl)thiourea Openeye Name: 1-[4-[6-bromo-4-oxo-2-(phenoxymethyl)quinazolin-3-yl]phenyl]-3-(4-chlorophenyl)thiourea CAS Name: 1-[4-[6-bromo-4-oxo-2-(phenoxymethyl)-3-quinazolinyl]phenyl]-3-(4-chlorophenyl)thiourea IUPAC Name: 1-[4-[6-bromo-4-oxo-2-(phenoxymethyl)quinazolin-3-yl]phenyl]-3-(4-chlorophenyl)thiourea Traditional Name: 1-[4-[6-bromo-4-keto-2-(phenoxymethyl)quinazolin-3-yl]phenyl]-3-(4-chlorophenyl)thiourea Formula: C28H20BrClN4O2S MolecularWeight: 591.906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=C(C=C4)NC(=S)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H20BrClN4O2S/c29-18-6-15-25-24(16-18)27(35)34(26(33-25)17-36-23-4-2-1-3-5-23)22-13-11-21(12-14-22)32-28(37)31-20-9-7-19(30)8-10-20/h1-16H,17H2,(H2,31,32,37)