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

Systemtic Name: 4-(4-pyridin-2-ylpiperazin-1-yl)benzenecarbothioamide Openeye Name: 4-[4-(2-pyridyl)piperazin-1-yl]benzenecarbothioamide CAS Name: 4-[4-(2-pyridinyl)-1-piperazinyl]benzenecarbothioamide IUPAC Name: 4-(4-pyridin-2-ylpiperazin-1-yl)benzenecarbothioamide Traditional Name: 4-[4-(2-pyridyl)piperazino]thiobenzamide Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4S/c17-16(21)13-4-6-14(7-5-13)19-9-11-20(12-10-19)15-3-1-2-8-18-15/h1-8H,9-12H2,(H2,17,21)