2-(azepan-1-yl)pyridine-3-carbothioamide

Systemtic Name: 2-(azepan-1-yl)pyridine-3-carbothioamide Openeye Name: 2-(azepan-1-yl)pyridine-3-carbothioamide CAS Name: 2-(1-azepanyl)-3-pyridinecarbothioamide IUPAC Name: 2-(azepan-1-yl)pyridine-3-carbothioamide Traditional Name: 2-(azepan-1-yl)thionicotinamide Formula: C12H17N3S MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC=N2)C(=S)N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC=N2)C(=S)N

InChI

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