5-[2-(2-dimethylaminoethylamino)ethoxy]-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 5-[2-(2-dimethylaminoethylamino)ethoxy]-3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-benzoyl-2-benzylsulfanyl-5-[2-(2-dimethylaminoethylamino)ethoxy]quinazolin-4-one CAS Name: 3-benzoyl-5-[2-(2-dimethylaminoethylamino)ethoxy]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 3-benzoyl-2-benzylsulfanyl-5-[2-(2-dimethylaminoethylamino)ethoxy]quinazolin-4-one Traditional Name: 3-benzoyl-2-(benzylthio)-5-[2-(2-dimethylaminoethylamino)ethoxy]quinazolin-4-one Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCCOC1=CC=CC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCNCCOC1=CC=CC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O3S/c1-31(2)18-16-29-17-19-35-24-15-9-14-23-25(24)27(34)32(26(33)22-12-7-4-8-13-22)28(30-23)36-20-21-10-5-3-6-11-21/h3-15,29H,16-20H2,1-2H3