1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(methylthio)phenyl]isonipecotamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C22H25N3O2S2/c1-3-27-17-7-8-19-20(14-17)29-22(24-19)25-11-9-15(10-12-25)21(26)23-16-5-4-6-18(13-16)28-2/h4-8,13-15H,3,9-12H2,1-2H3,(H,23,26)