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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

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