
 4-[(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methoxypropyl)benzamide

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M  END

>  <Chemical Name>
4-[(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methoxypropyl)benzamide

>  <PubChem CID>
3496289

>  <Formula>
C24H29N3O5S

>  <Molecular Weight>
471.572000

>  <IUPAC Name>
4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCCOC)OCC

>  <Isomeric SMILES>
CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCCCOC)OCC

>  <InChI Std. ID>
InChI=1S/C24H29N3O5S/c1-4-31-20-13-18-19(14-21(20)32-5-2)26-24(33)27(23(18)29)15-16-7-9-17(10-8-16)22(28)25-11-6-12-30-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,25,28)(H,26,33)

>  <InChI Key>
AASNYBYSRBZNRF-UHFFFAOYSA-N

