N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

Systemtic Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Openeye Name: N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide CAS Name: N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide IUPAC Name: N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Traditional Name: N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C22H23N3O4S2/c1-29-19-10-8-17(25(27)28)11-15(19)13-30-22-24-18-9-7-16(12-20(18)31-22)23-21(26)14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,23,26)