1-(4-bromophenyl)carbonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O2S/c1-2-14-3-8-18-19(13-14)29-22(24-18)25-20(27)15-9-11-26(12-10-15)21(28)16-4-6-17(23)7-5-16/h3-8,13,15H,2,9-12H2,1H3,(H,24,25,27)