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

Systemtic Name: N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-pyrazolyl]-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]pyrazol-4-yl]-4-(3-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(=C4)C)C

Isomeric SMILES

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

InChI

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