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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H24BrN3OS MolecularWeight: 458.41446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3OS/c1-13-10-15(3)20-19(11-13)28-22(25-20)26-8-6-16(7-9-26)21(27)24-17-4-5-18(23)14(2)12-17/h4-5,10-12,16H,6-9H2,1-3H3,(H,24,27)