N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)-N-thiochroman-4-yl-butanamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide Traditional Name: 4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)-N-thiochroman-4-yl-butyramide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3CCSC4=CC=CC=C34)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3CCSC4=CC=CC=C34)OC

InChI

InChI=1S/C23H25N3O4S/c1-29-19-12-16-18(13-20(19)30-2)24-14-26(23(16)28)10-5-8-22(27)25-17-9-11-31-21-7-4-3-6-15(17)21/h3-4,6-7,12-14,17H,5,8-11H2,1-2H3,(H,25,27)