N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethylacetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-acetamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S2/c1-2-26(17-12-13-31(28,29)15-17)20(27)14-30-22-24-19-11-7-6-10-18(19)21(25-22)23-16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3,(H,23,24,25)/t17-/m0/s1