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

Systemtic Name: 3-methoxy-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-methoxy-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-methoxy-N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-methoxy-N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-methoxy-N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C23H19N3O5S2 MolecularWeight: 481.54406

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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)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H19N3O5S2/c1-30-18-5-3-4-14(11-18)22(27)24-16-6-8-19-21(12-16)33-23(25-19)32-13-15-10-17(26(28)29)7-9-20(15)31-2/h3-12H,13H2,1-2H3,(H,24,27)