N-(1,3-benzothiazol-2-yl)-1-(2,2-dimethylpropanoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(2,2-dimethylpropanoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(2,2-dimethylpropanoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(2,2-dimethyl-1-oxopropyl)-N-(4-ethylphenyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(2,2-dimethylpropanoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-pivaloyl-isonipecotamide Formula: C26H31N3O2S MolecularWeight: 449.60824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C(=O)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4CCN(CC4)C(=O)C(C)(C)C

InChI

InChI=1S/C26H31N3O2S/c1-5-18-10-12-20(13-11-18)29(25-27-21-8-6-7-9-22(21)32-25)23(30)19-14-16-28(17-15-19)24(31)26(2,3)4/h6-13,19H,5,14-17H2,1-4H3