N-(phenylmethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(phenylmethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-benzyl-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(phenylmethyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5S/c22-16(19-13-14-5-2-1-3-6-14)21-11-9-20(10-12-21)15-17-7-4-8-18-15/h1-8H,9-13H2,(H,19,22)