2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)ethanamide Openeye Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide CAS Name: 2-[4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinyl]-N-(2,5-dimethyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide Traditional Name: 2-[4-[2-(tert-butylthio)benzyl]piperazino]-N-(2,5-dimethylpyrazol-3-yl)acetamide Formula: C22H33N5OS MolecularWeight: 415.59532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3SC(C)(C)C)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3SC(C)(C)C)C

InChI

InChI=1S/C22H33N5OS/c1-17-14-20(25(5)24-17)23-21(28)16-27-12-10-26(11-13-27)15-18-8-6-7-9-19(18)29-22(2,3)4/h6-9,14H,10-13,15-16H2,1-5H3,(H,23,28)