N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=NC4=CC=CC=C43)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=NC4=CC=CC=C43)OCO2

InChI

InChI=1S/C19H15N3O4S/c1-11(23)13-6-16-17(26-10-25-16)7-15(13)22-18(24)8-27-19-12-4-2-3-5-14(12)20-9-21-19/h2-7,9H,8,10H2,1H3,(H,22,24)