2-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H25N3O4S2/c1-2-3-4-9-14-25-21(27)17-10-5-7-12-19(17)24-23(25)31-16-15-26-22(28)18-11-6-8-13-20(18)32(26,29)30/h5-8,10-13H,2-4,9,14-16H2,1H3