2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-(3-ethoxypropyl)quinazolin-4-one Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O3S/c1-2-27-13-5-12-24-20(26)17-6-3-4-7-18(17)23-21(24)28-14-19(25)15-8-10-16(22)11-9-15/h3-4,6-11H,2,5,12-14H2,1H3