4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide hydrochloride

Systemtic Name: 4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide hydrochloride Openeye Name: 4-(2-pyridyl)-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide hydrochloride CAS Name: 4-(2-pyridinyl)-N-[(E)-1-(2-pyridinyl)ethylideneamino]-1-piperazinecarbothioamide hydrochloride IUPAC Name: 4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide hydrochloride Traditional Name: 4-(2-pyridyl)-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide hydrochloride Formula: C17H21ClN6S MolecularWeight: 376.90684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=N3.Cl

Isomeric SMILES

C/C(=N\NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=CC=CC=N3.Cl

InChI

InChI=1S/C17H20N6S.ClH/c1-14(15-6-2-4-8-18-15)20-21-17(24)23-12-10-22(11-13-23)16-7-3-5-9-19-16;/h2-9H,10-13H2,1H3,(H,21,24);1H/b20-14+;