3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-keto-6,7-dimethoxy-quinazolin-3-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)OC

InChI

InChI=1S/C21H20N4O6S2/c1-30-16-9-13-15(10-17(16)31-2)22-11-25(20(13)27)7-6-19(26)24-21-23-14-5-4-12(33(3,28)29)8-18(14)32-21/h4-5,8-11H,6-7H2,1-3H3,(H,23,24,26)