N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-pyrazolyl]-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-(2-methylbenzyl)piperazine-1-carbothioamide Formula: C23H31N7S MolecularWeight: 437.60414

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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=C4C)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2C=C(C=N2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4C)C

InChI

InChI=1S/C23H31N7S/c1-4-30-19(3)21(13-25-30)16-29-17-22(14-24-29)26-23(31)28-11-9-27(10-12-28)15-20-8-6-5-7-18(20)2/h5-8,13-14,17H,4,9-12,15-16H2,1-3H3,(H,26,31)