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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-[1-(o-tolylmethyl)pyrazol-3-yl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-[1-(2-methylbenzyl)pyrazol-3-yl]piperazine-1-carbothioamide Formula: C23H26ClN5S MolecularWeight: 440.00404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

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