4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-ethyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-ethylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-(1,3-benzothiazol-2-ylmethylthio)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C21H22N4O3S3 MolecularWeight: 474.61938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N4O3S3/c1-2-25-18-8-7-15(31(26,27)24-9-11-28-12-10-24)13-17(18)23-21(25)29-14-20-22-16-5-3-4-6-19(16)30-20/h3-8,13H,2,9-12,14H2,1H3