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

Systemtic Name: 1-cyano-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide Openeye Name: 1-cyano-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclopropanecarboxamide CAS Name: 1-cyano-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-1-cyclopropanecarboxamide IUPAC Name: 1-cyano-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclopropane-1-carboxamide Traditional Name: 1-cyano-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]cyclopropanecarboxamide Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4(CC4)C#N

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4(CC4)C#N

InChI

InChI=1S/C20H17N3O2S2/c1-25-16-5-3-2-4-13(16)11-26-19-23-15-7-6-14(10-17(15)27-19)22-18(24)20(12-21)8-9-20/h2-7,10H,8-9,11H2,1H3,(H,22,24)