2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-morpholin-4-yl-3-phenethyl-quinazolin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-morpholin-4-yl-3-phenethyl-quinazolin-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-morpholino-3-phenethyl-quinazolin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-(4-morpholinyl)-3-phenethyl-4-quinazolinone IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-morpholin-4-yl-3-phenethylquinazolin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-morpholino-3-phenethyl-quinazolin-4-one Formula: C28H26BrN3O3S MolecularWeight: 564.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H26BrN3O3S/c29-22-8-6-21(7-9-22)26(33)19-36-28-30-25-11-10-23(31-14-16-35-17-15-31)18-24(25)27(34)32(28)13-12-20-4-2-1-3-5-20/h1-11,18H,12-17,19H2