4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: 4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)butyramide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CC=CC=N3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NCC3=CC=CC=N3)OCC

InChI

InChI=1S/C22H26N4O4S/c1-3-29-18-12-16-17(13-19(18)30-4-2)25-22(31)26(21(16)28)11-7-9-20(27)24-14-15-8-5-6-10-23-15/h5-6,8,10,12-13H,3-4,7,9,11,14H2,1-2H3,(H,24,27)(H,25,31)