2-[2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H22ClN3O4S2/c1-2-3-6-11-25-20(27)16-10-9-15(23)14-18(16)24-22(25)31-13-12-26-21(28)17-7-4-5-8-19(17)32(26,29)30/h4-5,7-10,14H,2-3,6,11-13H2,1H3