N-(4-butylphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C22H33N5S MolecularWeight: 399.59592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)CC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)CC)C

InChI

InChI=1S/C22H33N5S/c1-4-6-7-19-8-10-21(11-9-19)24-22(28)26-14-12-25(13-15-26)17-20-16-23-27(5-2)18(20)3/h8-11,16H,4-7,12-15,17H2,1-3H3,(H,24,28)