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

Systemtic Name: 3-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-pentyl-propanamide Openeye Name: 3-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-pentyl-propanamide CAS Name: 3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-pentylpropanamide IUPAC Name: 3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-pentylpropanamide Traditional Name: N-amyl-3-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CCN1C(=O)C2=CC(=C(C=C2NC1=S)OCC)OCC

Isomeric SMILES

CCCCCNC(=O)CCN1C(=O)C2=CC(=C(C=C2NC1=S)OCC)OCC

InChI

InChI=1S/C20H29N3O4S/c1-4-7-8-10-21-18(24)9-11-23-19(25)14-12-16(26-5-2)17(27-6-3)13-15(14)22-20(23)28/h12-13H,4-11H2,1-3H3,(H,21,24)(H,22,28)