methyl (1Z)-4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carboximidothioate

Systemtic Name: methyl (1Z)-4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carboximidothioate Openeye Name: methyl (1Z)-4-(2-pyridyl)-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carboximidothioate CAS Name: (1Z)-4-(2-pyridinyl)-N-[(E)-1-(2-pyridinyl)ethylideneamino]-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl (1Z)-4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carboximidothioate Traditional Name: (1Z)-4-(2-pyridyl)-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carboximidothioic acid methyl ester Formula: C18H22N6S MolecularWeight: 354.47248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N1CCN(CC1)C2=CC=CC=N2)SC)C3=CC=CC=N3

Isomeric SMILES

C/C(=N\N=C(\N1CCN(CC1)C2=CC=CC=N2)/SC)/C3=CC=CC=N3

InChI

InChI=1S/C18H22N6S/c1-15(16-7-3-5-9-19-16)21-22-18(25-2)24-13-11-23(12-14-24)17-8-4-6-10-20-17/h3-10H,11-14H2,1-2H3/b21-15+,22-18-