1-[[3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-[[3-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[[3-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-[3-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]benzyl]isonipecotamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H28N4O3S/c1-14-19(15(2)28-24-14)12-29-13-20(26)23-18-5-3-4-16(10-18)11-25-8-6-17(7-9-25)21(22)27/h3-5,10,17H,6-9,11-13H2,1-2H3,(H2,22,27)(H,23,26)