N-(1,5-dimethylpyrazol-4-yl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(1,5-dimethylpyrazol-4-yl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethylpyrazol-4-yl)-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-4-pyrazolyl)-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethylpyrazol-4-yl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1,5-dimethylpyrazol-4-yl)-4-(3-methylbenzyl)piperazine-1-carbothioamide Formula: C18H25N5S MolecularWeight: 343.4896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NC3=C(N(N=C3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NC3=C(N(N=C3)C)C

InChI

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