N-(1,5-dimethylpyrazol-4-yl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(1,5-dimethylpyrazol-4-yl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethylpyrazol-4-yl)-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-4-pyrazolyl)-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethylpyrazol-4-yl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1,5-dimethylpyrazol-4-yl)-4-(2-methylbenzyl)piperazine-1-carbothioamide Formula: C18H25N5S MolecularWeight: 343.4896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(N(N=C3)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(N(N=C3)C)C

InChI

InChI=1S/C18H25N5S/c1-14-6-4-5-7-16(14)13-22-8-10-23(11-9-22)18(24)20-17-12-19-21(3)15(17)2/h4-7,12H,8-11,13H2,1-3H3,(H,20,24)