N-(pyridin-3-ylmethyl)azepane-1-carbothioamide

Systemtic Name: N-(pyridin-3-ylmethyl)azepane-1-carbothioamide Openeye Name: N-(3-pyridylmethyl)azepane-1-carbothioamide CAS Name: N-(3-pyridinylmethyl)-1-azepanecarbothioamide IUPAC Name: N-(pyridin-3-ylmethyl)azepane-1-carbothioamide Traditional Name: N-(3-pyridylmethyl)azepane-1-carbothioamide Formula: C13H19N3S MolecularWeight: 249.37506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NCC2=CN=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C13H19N3S/c17-13(16-8-3-1-2-4-9-16)15-11-12-6-5-7-14-10-12/h5-7,10H,1-4,8-9,11H2,(H,15,17)