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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NC3=NN(C=C3)CC4=CC=C(C=C4)Cl

InChI

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