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

Systemtic Name: 1-butyl-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C17H22N6O2S3 MolecularWeight: 438.59058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(S3)NC4CC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(S3)NC4CC4

InChI

InChI=1S/C17H22N6O2S3/c1-2-3-8-23-14-7-6-12(28(18,24)25)9-13(14)20-15(23)10-26-17-22-21-16(27-17)19-11-4-5-11/h6-7,9,11H,2-5,8,10H2,1H3,(H,19,21)(H2,18,24,25)