4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(3-pyridylmethyl)benzamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)OCC

InChI

InChI=1S/C26H26N4O4S/c1-3-33-22-12-20-21(13-23(22)34-4-2)29-26(35)30(25(20)32)16-17-7-9-19(10-8-17)24(31)28-15-18-6-5-11-27-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,28,31)(H,29,35)