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

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-chloro-4-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(=C(C=C1)NC(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C3=NC4=C(C=C(C=C4S3)C)C)Cl

InChI

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