N-(3-ethylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-ethylphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5S/c1-2-14-5-3-6-15(13-14)20-17(23)22-11-9-21(10-12-22)16-18-7-4-8-19-16/h3-8,13H,2,9-12H2,1H3,(H,20,23)