1-(2,2-dimethylpropanoyl)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2,2-dimethylpropanoyl)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: 1-(2,2-dimethylpropanoyl)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2,2-dimethylpropanoyl)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Traditional Name: N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]-1-pivaloyl-isonipecotamide Formula: C22H30N4O2S2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2=NN=C(S2)SCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2=NN=C(S2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S2/c1-22(2,3)19(28)26-13-11-17(12-14-26)18(27)23-20-24-25-21(30-20)29-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-15H2,1-3H3,(H,23,24,27)