N-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-(3-methylbenzyl)piperazine-1-carbothioamide Formula: C19H27N5S MolecularWeight: 357.51618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=S)N2CCN(CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCN1C=C(C=N1)CNC(=S)N2CCN(CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C19H27N5S/c1-3-24-15-18(13-21-24)12-20-19(25)23-9-7-22(8-10-23)14-17-6-4-5-16(2)11-17/h4-6,11,13,15H,3,7-10,12,14H2,1-2H3,(H,20,25)