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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)N(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)N(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H31N3O2S/c1-26(2,3)24(31)28-16-14-20(15-17-28)23(30)29(18-13-19-9-5-4-6-10-19)25-27-21-11-7-8-12-22(21)32-25/h4-12,20H,13-18H2,1-3H3