2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 2-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 2-[[4-(4-bromophenyl)-4-oxobutyl]thio]-3-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[4-(4-bromophenyl)-4-keto-butyl]thio]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C26H23BrN2O4S MolecularWeight: 539.44082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C26H23BrN2O4S/c1-32-23-14-13-19(16-24(23)33-2)29-25(31)20-6-3-4-7-21(20)28-26(29)34-15-5-8-22(30)17-9-11-18(27)12-10-17/h3-4,6-7,9-14,16H,5,8,15H2,1-2H3