N,N,1-triethyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-(4-oxo-4-thiophen-2-ylbutyl)sulfanylbenzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[[4-keto-4-(2-thienyl)butyl]thio]benzimidazole-5-sulfonamide Formula: C21H27N3O3S3 MolecularWeight: 465.65238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCCCC(=O)C3=CC=CS3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O3S3/c1-4-23(5-2)30(26,27)16-11-12-18-17(15-16)22-21(24(18)6-3)29-14-7-9-19(25)20-10-8-13-28-20/h8,10-13,15H,4-7,9,14H2,1-3H3