4-[2-[2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-[(5-chlorobenzothiophen-3-yl)methylthio]-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C25H20ClN3O3S3 MolecularWeight: 542.0926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CSC4=C3C=C(C=C4)Cl)CCC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CSC4=C3C=C(C=C4)Cl)CCC5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C25H20ClN3O3S3/c26-18-7-10-23-21(13-18)17(14-33-23)15-34-25-28-22-4-2-1-3-20(22)24(30)29(25)12-11-16-5-8-19(9-6-16)35(27,31)32/h1-10,13-14H,11-12,15H2,(H2,27,31,32)