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

Systemtic Name: 2-bromanyl-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H16BrN3O4S2 MolecularWeight: 530.41414

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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=C4Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C22H16BrN3O4S2/c1-30-19-9-7-15(26(28)29)10-13(19)12-31-22-25-18-8-6-14(11-20(18)32-22)24-21(27)16-4-2-3-5-17(16)23/h2-11H,12H2,1H3,(H,24,27)