N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[1-(4-fluorobenzyl)pyrazol-4-yl]-4-(2-methylbenzyl)piperazine-1-carbothioamide Formula: C23H26FN5S MolecularWeight: 423.549443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN5S/c1-18-4-2-3-5-20(18)16-27-10-12-28(13-11-27)23(30)26-22-14-25-29(17-22)15-19-6-8-21(24)9-7-19/h2-9,14,17H,10-13,15-16H2,1H3,(H,26,30)