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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(dimethylaminomethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylaminomethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]thio]acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3S/c1-24(2)10-18-22-15-6-4-3-5-14(15)20(23-18)28-11-19(25)21-13-7-8-16-17(9-13)27-12-26-16/h3-9H,10-12H2,1-2H3,(H,21,25)