N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butan-2-yl-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butan-2-yl-2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: N-butan-2-yl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: 2-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(1,1-diketothiolan-3-yl)-N-sec-butyl-acetamide Formula: C21H28ClN3O4S2 MolecularWeight: 486.04772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(C3CCS(=O)(=O)C3)C(C)CC

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(C3CCS(=O)(=O)C3)C(C)CC

InChI

InChI=1S/C21H28ClN3O4S2/c1-4-9-24-20(27)17-7-6-15(22)11-18(17)23-21(24)30-12-19(26)25(14(3)5-2)16-8-10-31(28,29)13-16/h6-7,11,14,16H,4-5,8-10,12-13H2,1-3H3