N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(1-methylsulfonylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(1-methylsulfonylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(1-methylsulfonylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(1-methylsulfonyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methylsulfonylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(1-mesylbenzimidazol-2-yl)thio]acetamide Formula: C18H18ClN3O5S2 MolecularWeight: 455.93562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C18H18ClN3O5S2/c1-26-15-9-16(27-2)13(8-11(15)19)20-17(23)10-28-18-21-12-6-4-5-7-14(12)22(18)29(3,24)25/h4-9H,10H2,1-3H3,(H,20,23)