N-(1,3-benzodioxol-5-yl)-3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(ethylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(ethylamino)quinazolin-2-yl]thio]propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3S/c1-2-21-19-14-5-3-4-6-15(14)23-20(24-19)28-10-9-18(25)22-13-7-8-16-17(11-13)27-12-26-16/h3-8,11H,2,9-10,12H2,1H3,(H,22,25)(H,21,23,24)