N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(5-ethoxy-2-methyl-coumaran-6-yl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C25H29N3O4S MolecularWeight: 467.58046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H29N3O4S/c1-3-31-22-14-17-13-16(2)32-21(17)15-20(22)26-23(29)11-5-4-8-12-28-24(30)18-9-6-7-10-19(18)27-25(28)33/h6-7,9-10,14-16H,3-5,8,11-13H2,1-2H3,(H,26,29)(H,27,33)