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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methylacetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S2/c1-25(16-11-12-30(27,28)14-16)19(26)13-29-21-23-18-10-6-5-9-17(18)20(24-21)22-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3,(H,22,23,24)/t16-/m0/s1