4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenecarbothioamide

Systemtic Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenecarbothioamide Openeye Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenecarbothioamide CAS Name: 4-[4-(2-pyrimidinyl)-1-piperazinyl]benzenecarbothioamide IUPAC Name: 4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenecarbothioamide Traditional Name: 4-[4-(2-pyrimidyl)piperazino]thiobenzamide Formula: C15H17N5S MolecularWeight: 299.39398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=S)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=S)N)C3=NC=CC=N3

InChI

InChI=1S/C15H17N5S/c16-14(21)12-2-4-13(5-3-12)19-8-10-20(11-9-19)15-17-6-1-7-18-15/h1-7H,8-11H2,(H2,16,21)