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

Systemtic Name: 4-chloranyl-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-chloro-N-[2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-chloro-N-[2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-chloro-N-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-chloro-N-[2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H16ClN3O4S2 MolecularWeight: 485.96314

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O4S2/c1-30-19-9-7-17(26(28)29)10-14(19)12-31-22-25-18-8-6-16(11-20(18)32-22)24-21(27)13-2-4-15(23)5-3-13/h2-11H,12H2,1H3,(H,24,27)