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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[[4-(ethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]acetamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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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)OCO4

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4S/c1-2-21-18-13-5-3-4-6-14(13)23-20(25-18)30-10-17(26)24-19(27)22-12-7-8-15-16(9-12)29-11-28-15/h3-9H,2,10-11H2,1H3,(H,21,23,25)(H2,22,24,26,27)