N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-4-m-anisyl-piperazine-1-carbothioamide Formula: C26H33N5OS MolecularWeight: 463.63812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C26H33N5OS/c1-19-8-5-6-10-23(19)18-31-21(3)25(20(2)28-31)27-26(33)30-14-12-29(13-15-30)17-22-9-7-11-24(16-22)32-4/h5-11,16H,12-15,17-18H2,1-4H3,(H,27,33)