N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[[4-(ethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]acetamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N5O4S/c1-2-22-19-14-5-3-4-6-15(14)24-21(26-19)31-12-18(27)25-20(28)23-13-7-8-16-17(11-13)30-10-9-29-16/h3-8,11H,2,9-10,12H2,1H3,(H,22,24,26)(H2,23,25,27,28)