2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C16H21N3O4S3 MolecularWeight: 415.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H21N3O4S3/c1-12-14(13(2)23-17-12)10-24-11-15(20)18-5-7-19(8-6-18)26(21,22)16-4-3-9-25-16/h3-4,9H,5-8,10-11H2,1-2H3