N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H18N4O3S/c22-8-3-9-25(15-6-7-18-19(12-15)28-11-10-27-18)20(26)13-29-21-16-4-1-2-5-17(16)23-14-24-21/h1-2,4-7,12,14H,3,9-11,13H2