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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]acetamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(=O)NC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1NC2=NC(=NC3=CC=CC=C32)SCC(=O)NC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N5O4S/c27-18(25-20(28)23-13-7-8-16-17(9-13)30-11-29-16)10-31-21-24-15-4-2-1-3-14(15)19(26-21)22-12-5-6-12/h1-4,7-9,12H,5-6,10-11H2,(H,22,24,26)(H2,23,25,27,28)