2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C20H22N4O2S3 MolecularWeight: 446.60928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O2S3/c1-4-11-24-17-10-9-14(29(25,26)23(2)3)12-16(17)21-19(24)13-27-20-22-15-7-5-6-8-18(15)28-20/h5-10,12H,4,11,13H2,1-3H3