1-butyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]benzimidazole-5-sulfonamide Formula: C25H24N4O3S3 MolecularWeight: 524.67806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H24N4O3S3/c1-2-3-14-28-19-13-12-17(35(26,31)32)15-18(19)27-25(28)33-16-24(30)29-20-8-4-6-10-22(20)34-23-11-7-5-9-21(23)29/h4-13,15H,2-3,14,16H2,1H3,(H2,26,31,32)