1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]phenyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoyl]piperazino]-2-methyl-propan-1-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C21H27N3O3S/c1-14(2)20(25)23-9-11-24(12-10-23)21(26)17-7-5-6-8-19(17)28-13-18-15(3)22-27-16(18)4/h5-8,14H,9-13H2,1-4H3