N-(5-methyl-1,2-oxazol-3-yl)-2-[2-phenylsulfanylethanoyl(2-piperidin-1-ylethyl)amino]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-phenylsulfanylethanoyl(2-piperidin-1-ylethyl)amino]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[(2-phenylsulfanylacetyl)-[2-(1-piperidyl)ethyl]amino]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[1-oxo-2-(phenylthio)ethyl]-[2-(1-piperidinyl)ethyl]amino]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenylsulfanylacetyl)-(2-piperidin-1-ylethyl)amino]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[2-(phenylthio)acetyl]-(2-piperidinoethyl)amino]acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CCN2CCCCC2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CCN2CCCCC2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-17-14-19(23-28-17)22-20(26)15-25(13-12-24-10-6-3-7-11-24)21(27)16-29-18-8-4-2-5-9-18/h2,4-5,8-9,14H,3,6-7,10-13,15-16H2,1H3,(H,22,23,26)