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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-pyrazolyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]piperazine-1-carbothioamide Formula: C22H28ClN7S MolecularWeight: 458.02262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2C=C(C=N2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2C=C(C=N2)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C22H28ClN7S/c1-3-30-17(2)19(12-25-30)15-29-16-21(13-24-29)26-22(31)28-9-7-27(8-10-28)14-18-5-4-6-20(23)11-18/h4-6,11-13,16H,3,7-10,14-15H2,1-2H3,(H,26,31)