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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-methylacetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylacetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-methyl-acetamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)C3CCS(=O)(=O)C3

InChI

InChI=1S/C21H29N3O4S2/c1-3-4-5-8-12-24-20(26)17-9-6-7-10-18(17)22-21(24)29-14-19(25)23(2)16-11-13-30(27,28)15-16/h6-7,9-10,16H,3-5,8,11-15H2,1-2H3