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

Systemtic Name: 3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]propanamide Openeye Name: 3-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide CAS Name: 3-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide Traditional Name: 3-(4-keto-6,7-dimethoxy-quinazolin-3-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propionamide Formula: C21H17F3N4O5S MolecularWeight: 494.44369

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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)OC(F)(F)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N4O5S/c1-31-15-8-12-14(9-16(15)32-2)25-10-28(19(12)30)6-5-18(29)27-20-26-13-4-3-11(7-17(13)34-20)33-21(22,23)24/h3-4,7-10H,5-6H2,1-2H3,(H,26,27,29)