N-[2-[(4-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]quinoline-8-sulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]quinoline-8-sulfonamide Openeye Name: N-[2-[(4-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]quinoline-8-sulfonamide CAS Name: N-[2-[(4-cyanophenyl)methylthio]-1,3-benzothiazol-6-yl]-8-quinolinesulfonamide IUPAC Name: N-[2-[(4-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]quinoline-8-sulfonamide Traditional Name: N-[2-[(4-cyanobenzyl)thio]-1,3-benzothiazol-6-yl]quinoline-8-sulfonamide Formula: C24H16N4O2S3 MolecularWeight: 488.60444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)C#N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)C#N)N=CC=C2

InChI

InChI=1S/C24H16N4O2S3/c25-14-16-6-8-17(9-7-16)15-31-24-27-20-11-10-19(13-21(20)32-24)28-33(29,30)22-5-1-3-18-4-2-12-26-23(18)22/h1-13,28H,15H2