N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(phenylthio)nicotinoyl]piperazino]acetamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3S/c1-16-14-19(25-30-16)24-20(28)15-26-10-12-27(13-11-26)22(29)18-8-5-9-23-21(18)31-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,24,25,28)