2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N,N,1-triethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N,N,1-triethyl-benzimidazole-5-sulfonamide Formula: C21H24N4O2S3 MolecularWeight: 460.63586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4O2S3/c1-4-24(5-2)30(26,27)15-11-12-18-17(13-15)23-21(25(18)6-3)28-14-20-22-16-9-7-8-10-19(16)29-20/h7-13H,4-6,14H2,1-3H3