N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide

Systemtic Name: N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide Openeye Name: N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]-N-[2-[(2R)-tetrahydropyran-2-yl]ethyl]acetamide CAS Name: N-methyl-N-[2-[(2R)-2-oxanyl]ethyl]-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]acetamide IUPAC Name: N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide Traditional Name: N-methyl-2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]-N-[2-[(2R)-tetrahydropyran-2-yl]ethyl]acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCCCO1)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CN(CC[C@H]1CCCCO1)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-24(11-10-18-7-5-6-12-28-18)21(27)15-25-14-17(13-22-25)23-20(26)16-29-19-8-3-2-4-9-19/h2-4,8-9,13-14,18H,5-7,10-12,15-16H2,1H3,(H,23,26)/t18-/m1/s1