4-[(4-methylphenyl)methyl]-N-[1-(phenylmethyl)pyrazol-4-yl]piperazine-1-carbothioamide

Systemtic Name: 4-[(4-methylphenyl)methyl]-N-[1-(phenylmethyl)pyrazol-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1-benzylpyrazol-4-yl)-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(4-methylphenyl)methyl]-N-[1-(phenylmethyl)-4-pyrazolyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-benzylpyrazol-4-yl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1-benzylpyrazol-4-yl)-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C23H27N5S MolecularWeight: 405.55898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5S/c1-19-7-9-21(10-8-19)16-26-11-13-27(14-12-26)23(29)25-22-15-24-28(18-22)17-20-5-3-2-4-6-20/h2-10,15,18H,11-14,16-17H2,1H3,(H,25,29)