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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N,N-diethyl-1-(2-methoxyphenyl)-5-benzimidazolesulfonamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C26H26N4O3S3 MolecularWeight: 538.70464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5OC

InChI

InChI=1S/C26H26N4O3S3/c1-4-29(5-2)36(31,32)18-14-15-21-20(16-18)28-26(30(21)22-11-7-8-12-23(22)33-3)34-17-25-27-19-10-6-9-13-24(19)35-25/h6-16H,4-5,17H2,1-3H3