1-butyl-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(2-anilinothiazol-4-yl)methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[(2-anilino-4-thiazolyl)methylthio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2-anilinothiazol-4-yl)methylthio]-1-butyl-benzimidazole-5-sulfonamide Formula: C21H23N5O2S3 MolecularWeight: 473.63462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2S3/c1-2-3-11-26-19-10-9-17(31(22,27)28)12-18(19)25-21(26)30-14-16-13-29-20(24-16)23-15-7-5-4-6-8-15/h4-10,12-13H,2-3,11,14H2,1H3,(H,23,24)(H2,22,27,28)