(2S)-1-but-2-ynoyl-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide

Systemtic Name: (2S)-1-but-2-ynoyl-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide Openeye Name: (2S)-1-but-2-ynoyl-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide CAS Name: (2S)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(1-oxobut-2-ynyl)-2-piperidinecarboxamide IUPAC Name: (2S)-1-but-2-ynoyl-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide Traditional Name: (2S)-1-but-2-ynoyl-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pipecolinamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCCCC1C(=O)NC2=CC=CC(=C2)C3=NN=C(S3)C

Isomeric SMILES

CC#CC(=O)N1CCCC[C@H]1C(=O)NC2=CC=CC(=C2)C3=NN=C(S3)C

InChI

InChI=1S/C19H20N4O2S/c1-3-7-17(24)23-11-5-4-10-16(23)18(25)20-15-9-6-8-14(12-15)19-22-21-13(2)26-19/h6,8-9,12,16H,4-5,10-11H2,1-2H3,(H,20,25)/t16-/m0/s1