N-butan-2-yl-5-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pentanamide

Systemtic Name: N-butan-2-yl-5-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pentanamide Openeye Name: 5-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-sec-butyl-pentanamide CAS Name: N-butan-2-yl-5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pentanamide IUPAC Name: N-butan-2-yl-5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pentanamide Traditional Name: 5-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-sec-butyl-valeramide Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCCN1C(=O)C2=CC(=C(C=C2NC1=S)OCC)OCC

Isomeric SMILES

CCC(C)NC(=O)CCCCN1C(=O)C2=CC(=C(C=C2NC1=S)OCC)OCC

InChI

InChI=1S/C21H31N3O4S/c1-5-14(4)22-19(25)10-8-9-11-24-20(26)15-12-17(27-6-2)18(28-7-3)13-16(15)23-21(24)29/h12-14H,5-11H2,1-4H3,(H,22,25)(H,23,29)