4-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H23N5O3S2/c1-2-26-19-8-7-15(31(27,28)25-9-11-29-12-10-25)13-18(19)22-20(26)14-30-21-23-16-5-3-4-6-17(16)24-21/h3-8,13H,2,9-12,14H2,1H3,(H,23,24)