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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H23N3O4S2/c1-2-3-9-21-17(23)14-6-4-5-7-15(14)20-18(21)26-11-16(22)19-13-8-10-27(24,25)12-13/h4-7,13H,2-3,8-12H2,1H3,(H,19,22)/t13-/m0/s1