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

Systemtic Name: 3-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)propanamide CAS Name: 3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-pyridylmethyl)propionamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CN=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CN=CC=C3)OCC

InChI

InChI=1S/C21H24N4O4S/c1-3-28-17-10-15-16(11-18(17)29-4-2)24-21(30)25(20(15)27)9-7-19(26)23-13-14-6-5-8-22-12-14/h5-6,8,10-12H,3-4,7,9,13H2,1-2H3,(H,23,26)(H,24,30)