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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-butyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-butyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylamino)-2-quinazolinyl]thio]-N-butylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-N-butylacetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]thio]-N-butyl-acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O3S/c1-2-3-10-22-19(26)12-29-21-24-16-7-5-4-6-15(16)20(25-21)23-14-8-9-17-18(11-14)28-13-27-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,26)(H,23,24,25)