N-[(1-ethylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-4-(2-methylbenzyl)piperazine-1-carbothioamide Formula: C19H27N5S MolecularWeight: 357.51618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=S)N2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCN1C=C(C=N1)CNC(=S)N2CCN(CC2)CC3=CC=CC=C3C

InChI

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