2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]ethanethioamide

Systemtic Name: 2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]ethanethioamide Openeye Name: 2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]thioacetamide CAS Name: 2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]ethanethioamide IUPAC Name: 2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]ethanethioamide Traditional Name: 2-[5-(azepan-1-yl)-2-keto-1-pyridyl]thioacetamide Formula: C13H19N3OS MolecularWeight: 265.37446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CC(=S)N

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CC(=S)N

InChI

InChI=1S/C13H19N3OS/c14-12(18)10-16-9-11(5-6-13(16)17)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10H2,(H2,14,18)