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

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-methyl-piperidine-3-carboxamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-methyl-piperidine-3-carboxamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-1-methyl-3-piperidinecarboxamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-methylpiperidine-3-carboxamide Traditional Name: 1-methyl-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]nipecotamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

Isomeric SMILES

CN1CCCC(C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

InChI

InChI=1S/C22H25N3O2S2/c1-25-11-5-7-15(13-25)21(26)23-17-9-10-18-20(12-17)29-22(24-18)28-14-16-6-3-4-8-19(16)27-2/h3-4,6,8-10,12,15H,5,7,11,13-14H2,1-2H3,(H,23,26)