N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C23H19N3O5S2 MolecularWeight: 481.54406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O5S2/c1-31-20-5-3-2-4-15(20)13-32-23-25-17-8-7-16(12-21(17)33-23)24-22(28)11-14-6-9-19(27)18(10-14)26(29)30/h2-10,12,27H,11,13H2,1H3,(H,24,28)