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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-[1-(p-tolylmethyl)pyrazol-4-yl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-4-pyrazolyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-[1-(4-methylbenzyl)pyrazol-4-yl]piperazine-1-carbothioamide Formula: C23H26ClN5S MolecularWeight: 440.00404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C=N2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN5S/c1-18-5-7-19(8-6-18)16-29-17-22(14-25-29)26-23(30)28-11-9-27(10-12-28)15-20-3-2-4-21(24)13-20/h2-8,13-14,17H,9-12,15-16H2,1H3,(H,26,30)