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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C22H24BrN3O2S/c1-3-28-17-5-7-19-20(13-17)29-22(25-19)26-10-8-15(9-11-26)21(27)24-16-4-6-18(23)14(2)12-16/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,24,27)