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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(2-thienylmethylsulfanyl)benzoyl]piperazin-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-[2-(thiophen-2-ylmethylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(2-thenylthio)benzoyl]piperazino]acetamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C22H24N4O3S2/c1-16-13-20(24-29-16)23-21(27)14-25-8-10-26(11-9-25)22(28)18-6-2-3-7-19(18)31-15-17-5-4-12-30-17/h2-7,12-13H,8-11,14-15H2,1H3,(H,23,24,27)