N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butan-2-yl-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-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-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-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-prop-2-enyl-2-quinazolinyl)thio]-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: N-butan-2-yl-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(1,1-diketothiolan-3-yl)-N-sec-butyl-acetamide Formula: C21H26ClN3O4S2 MolecularWeight: 484.03184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H26ClN3O4S2/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/h4,6-7,11,14,16H,1,5,8-10,12-13H2,2-3H3