3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-morpholin-4-yl-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-morpholin-4-yl-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-morpholino-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-(4-morpholinyl)-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-morpholin-4-ylquinazolin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-morpholino-3-piperonyl-quinazolin-4-one Formula: C28H24BrN3O5S MolecularWeight: 594.47626

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC(=O)C6=CC=C(C=C6)Br

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC5=C(C=C4)OCO5)SCC(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C28H24BrN3O5S/c29-20-4-2-19(3-5-20)24(33)16-38-28-30-23-7-6-21(31-9-11-35-12-10-31)14-22(23)27(34)32(28)15-18-1-8-25-26(13-18)37-17-36-25/h1-8,13-14H,9-12,15-17H2