N-(4-butan-2-ylphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C22H33N5S MolecularWeight: 399.59592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)CC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)CC

InChI

InChI=1S/C22H33N5S/c1-5-17(3)19-7-9-21(10-8-19)23-22(28)26-13-11-25(12-14-26)15-20-16-27(6-2)24-18(20)4/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,23,28)