N-[(Z)-1-pyridin-2-ylethylideneamino]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-[(Z)-1-pyridin-2-ylethylideneamino]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-[(Z)-1-(2-pyridyl)ethylideneamino]-4-(4-pyridylmethyl)piperazine-1-carbothioamide CAS Name: N-[(Z)-1-(2-pyridinyl)ethylideneamino]-4-(pyridin-4-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-[(Z)-1-pyridin-2-ylethylideneamino]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-[(Z)-1-(2-pyridyl)ethylideneamino]-4-(4-pyridylmethyl)piperazine-1-carbothioamide Formula: C18H22N6S MolecularWeight: 354.47248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCN(CC1)CC2=CC=NC=C2)C3=CC=CC=N3

Isomeric SMILES

C/C(=N/NC(=S)N1CCN(CC1)CC2=CC=NC=C2)/C3=CC=CC=N3

InChI

InChI=1S/C18H22N6S/c1-15(17-4-2-3-7-20-17)21-22-18(25)24-12-10-23(11-13-24)14-16-5-8-19-9-6-16/h2-9H,10-14H2,1H3,(H,22,25)/b21-15-