N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-4-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C26H33N5S MolecularWeight: 447.63872

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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=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(N(N=C3C)CC4=CC=CC=C4C)C

InChI

InChI=1S/C26H33N5S/c1-19-9-11-23(12-10-19)17-29-13-15-30(16-14-29)26(32)27-25-21(3)28-31(22(25)4)18-24-8-6-5-7-20(24)2/h5-12H,13-18H2,1-4H3,(H,27,32)