N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-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)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S/c1-2-24-20(26)15-7-3-4-8-16(15)23-21(24)29-13-19(25)22-11-14-12-27-17-9-5-6-10-18(17)28-14/h3-10,14H,2,11-13H2,1H3,(H,22,25)/t14-/m0/s1