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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]acetamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5S/c1-13(10-27-2)24-20(26)15-5-3-4-6-16(15)23-21(24)30-11-19(25)22-14-7-8-17-18(9-14)29-12-28-17/h3-9,13H,10-12H2,1-2H3,(H,22,25)