N-[(3-chlorophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C22H24ClN3OS/c1-14-10-15(2)20-19(11-14)28-22(25-20)26-8-6-17(7-9-26)21(27)24-13-16-4-3-5-18(23)12-16/h3-5,10-12,17H,6-9,13H2,1-2H3,(H,24,27)