1-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(6-bromanyl-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-N-(p-tolylmethyl)piperidine-4-carboxamide CAS Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(6-bromo-1,3-benzothiazol-2-yl)-N-(4-methylbenzyl)isonipecotamide Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3OS/c1-14-2-4-15(5-3-14)13-23-20(26)16-8-10-25(11-9-16)21-24-18-7-6-17(22)12-19(18)27-21/h2-7,12,16H,8-11,13H2,1H3,(H,23,26)