N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-propyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-propyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propyl-acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-propylacetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-propylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[(3S)-1,1-diketothiolan-3-yl]-N-propyl-acetamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C20H25N3O4S2/c1-3-10-22(15-9-12-29(26,27)14-15)18(24)13-28-20-21-17-8-6-5-7-16(17)19(25)23(20)11-4-2/h4-8,15H,2-3,9-14H2,1H3/t15-/m0/s1