2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethylacetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethylacetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-ethyl-N-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]acetamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N4O5S/c1-4-26(20(27)12-32-22-24-14-7-5-6-8-16(14)31-22)11-19-23-15-10-18(30-3)17(29-2)9-13(15)21(28)25-19/h5-10H,4,11-12H2,1-3H3,(H,23,25,28)