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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C20H27N3O4S2/c1-2-3-4-7-11-23-19(25)16-8-5-6-9-17(16)22-20(23)28-13-18(24)21-15-10-12-29(26,27)14-15/h5-6,8-9,15H,2-4,7,10-14H2,1H3,(H,21,24)/t15-/m0/s1