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

Systemtic Name: N-[(4-methylphenyl)methyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(p-tolylmethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[(4-methylphenyl)methyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-methylbenzyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5S/c1-14-3-5-15(6-4-14)13-20-17(23)22-11-9-21(10-12-22)16-18-7-2-8-19-16/h2-8H,9-13H2,1H3,(H,20,23)