1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-bromanyl-6-ethoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide Openeye Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-(p-tolyl)piperidine-4-carboxamide CAS Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(5-bromo-6-ethoxy-1,3-benzothiazol-2-yl)-N-(p-tolyl)isonipecotamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C)Br

Isomeric SMILES

CCOC1=C(C=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C)Br

InChI

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