N-phenethyl-4-pyrimidin-2-yl-piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5S/c23-17(20-10-7-15-5-2-1-3-6-15)22-13-11-21(12-14-22)16-18-8-4-9-19-16/h1-6,8-9H,7,10-14H2,(H,20,23)