1-butyl-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C18H26N6O2S3 MolecularWeight: 454.63304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=NC3=C(N2CCCC)C=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=NC3=C(N2CCCC)C=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C18H26N6O2S3/c1-3-5-9-20-17-22-23-18(28-17)27-12-16-21-14-11-13(29(19,25)26)7-8-15(14)24(16)10-6-4-2/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,20,22)(H2,19,25,26)