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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[1-(phenylmethyl)pyrazol-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1-benzylpyrazol-4-yl)-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[1-(phenylmethyl)-4-pyrazolyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-benzylpyrazol-4-yl)-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1-benzylpyrazol-4-yl)-4-(3-chlorobenzyl)piperazine-1-carbothioamide Formula: C22H24ClN5S MolecularWeight: 425.97746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24ClN5S/c23-20-8-4-7-19(13-20)15-26-9-11-27(12-10-26)22(29)25-21-14-24-28(17-21)16-18-5-2-1-3-6-18/h1-8,13-14,17H,9-12,15-16H2,(H,25,29)