N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-4-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C25H31N5S MolecularWeight: 433.61214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(N(N=C3C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(N(N=C3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H31N5S/c1-19-9-11-23(12-10-19)17-28-13-15-29(16-14-28)25(31)26-24-20(2)27-30(21(24)3)18-22-7-5-4-6-8-22/h4-12H,13-18H2,1-3H3,(H,26,31)