N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H14ClN3O5S2 MolecularWeight: 439.89316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H14ClN3O5S2/c1-25-13-7-14(26-2)12(6-10(13)18)19-16(22)8-27-17-20-11-4-3-9(21(23)24)5-15(11)28-17/h3-7H,8H2,1-2H3,(H,19,22)