N-(azepan-1-ylcarbothioyl)pyridine-3-carboxamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)pyridine-3-carboxamide Openeye Name: N-(azepane-1-carbothioyl)pyridine-3-carboxamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-pyridinecarboxamide IUPAC Name: N-(azepane-1-carbothioyl)pyridine-3-carboxamide Traditional Name: N-(azepane-1-carbothioyl)nicotinamide Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c17-12(11-6-5-7-14-10-11)15-13(18)16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9H2,(H,15,17,18)