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

Systemtic Name: 2-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[[4-(4-bromophenyl)-4-oxobutyl]thio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[[4-(4-bromophenyl)-4-keto-butyl]thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H23BrN2O3S MolecularWeight: 475.39862

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O3S/c1-28-14-5-13-25-21(27)18-6-2-3-7-19(18)24-22(25)29-15-4-8-20(26)16-9-11-17(23)12-10-16/h2-3,6-7,9-12H,4-5,8,13-15H2,1H3