4-[(3-chlorophenyl)methyl]-N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-4-(3-chlorobenzyl)piperazine-1-carbothioamide Formula: C24H28ClN5S MolecularWeight: 454.03062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H28ClN5S/c1-18-23(19(2)30(27-18)17-20-7-4-3-5-8-20)26-24(31)29-13-11-28(12-14-29)16-21-9-6-10-22(25)15-21/h3-10,15H,11-14,16-17H2,1-2H3,(H,26,31)