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

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(methylthio)phenyl]isonipecotamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC)C

InChI

InChI=1S/C22H25N3OS2/c1-14-11-15(2)20-19(12-14)28-22(24-20)25-9-7-16(8-10-25)21(26)23-17-5-4-6-18(13-17)27-3/h4-6,11-13,16H,7-10H2,1-3H3,(H,23,26)