N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[1-(4-fluorobenzyl)pyrazol-4-yl]-4-(3-methylbenzyl)piperazine-1-carbothioamide Formula: C23H26FN5S MolecularWeight: 423.549443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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