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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5

InChI

InChI=1S/C22H22N4O3S/c1-13(14-6-9-18-19(10-14)29-12-28-18)23-20(27)11-30-22-25-17-5-3-2-4-16(17)21(26-22)24-15-7-8-15/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,23,27)(H,24,25,26)