3-cyano-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-cyano-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-cyano-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-cyano-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-cyano-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-cyano-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H17N3O2S2/c1-28-20-8-3-2-6-17(20)14-29-23-26-19-10-9-18(12-21(19)30-23)25-22(27)16-7-4-5-15(11-16)13-24/h2-12H,14H2,1H3,(H,25,27)