4-[1-ethyl-2-[(4-methylsulfanylphenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[(4-methylsulfanylphenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[(4-methylsulfanylphenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[[4-(methylthio)phenyl]methylthio]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(4-methylsulfanylphenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[[4-(methylthio)benzyl]thio]benzimidazol-5-yl]sulfonylmorpholine Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC=C(C=C4)SC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC=C(C=C4)SC

InChI

InChI=1S/C21H25N3O3S3/c1-3-24-20-9-8-18(30(25,26)23-10-12-27-13-11-23)14-19(20)22-21(24)29-15-16-4-6-17(28-2)7-5-16/h4-9,14H,3,10-13,15H2,1-2H3