1-(2,5-dimethylthiophen-3-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-3-thienyl)-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-3-thienyl)-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]ethanone Formula: C21H25N3O4S3 MolecularWeight: 479.6359

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C4=C(SC(=C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C4=C(SC(=C4)C)C

InChI

InChI=1S/C21H25N3O4S3/c1-4-24-19-6-5-16(31(26,27)23-7-9-28-10-8-23)12-18(19)22-21(24)29-13-20(25)17-11-14(2)30-15(17)3/h5-6,11-12H,4,7-10,13H2,1-3H3