N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(phenylthio)nicotinamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c27-19-14-26(12-11-22-19)18-9-8-15(13-24-18)25-20(28)17-7-4-10-23-21(17)29-16-5-2-1-3-6-16/h1-10,13H,11-12,14H2,(H,22,27)(H,25,28)