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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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