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

Systemtic Name: (3S)-1-but-2-ynoyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-but-2-ynoyl-N-(4-thiazol-4-ylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(1-oxobut-2-ynyl)-N-[4-(4-thiazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-but-2-ynoyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-but-2-ynoyl-N-(4-thiazol-4-ylphenyl)nipecotamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)C3=CSC=N3

Isomeric SMILES

CC#CC(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=CSC=N3

InChI

InChI=1S/C19H19N3O2S/c1-2-4-18(23)22-10-3-5-15(11-22)19(24)21-16-8-6-14(7-9-16)17-12-25-13-20-17/h6-9,12-13,15H,3,5,10-11H2,1H3,(H,21,24)/t15-/m0/s1