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

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-4-pyrazolyl]-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[1-(3-chlorobenzyl)pyrazol-4-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=CN(N=C3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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