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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-3-24-20(26)15-6-4-5-7-16(15)23-21(24)29-11-19(25)22-13(2)14-8-9-17-18(10-14)28-12-27-17/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)