2-(azepan-1-yl)pyridine-4-carbothioamide

Systemtic Name: 2-(azepan-1-yl)pyridine-4-carbothioamide Openeye Name: 2-(azepan-1-yl)pyridine-4-carbothioamide CAS Name: 2-(1-azepanyl)-4-pyridinecarbothioamide IUPAC Name: 2-(azepan-1-yl)pyridine-4-carbothioamide Traditional Name: 2-(azepan-1-yl)thioisonicotinamide Formula: C12H17N3S MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=CC(=C2)C(=S)N

Isomeric SMILES

C1CCCN(CC1)C2=NC=CC(=C2)C(=S)N

InChI

InChI=1S/C12H17N3S/c13-12(16)10-5-6-14-11(9-10)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H2,13,16)