N-(3-chloranyl-2-methyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-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)NC4=C(C(=CC=C4)Cl)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3OS/c1-13-11-14(2)20-19(12-13)28-22(25-20)26-9-7-16(8-10-26)21(27)24-18-6-4-5-17(23)15(18)3/h4-6,11-12,16H,7-10H2,1-3H3,(H,24,27)