N-[(E)-(6-methylpyridin-2-yl)methylideneamino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-(6-methylpyridin-2-yl)methylideneamino]azepane-1-carbothioamide Openeye Name: N-[(E)-(6-methyl-2-pyridyl)methyleneamino]azepane-1-carbothioamide CAS Name: N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-(6-methylpyridin-2-yl)methylideneamino]azepane-1-carbothioamide Traditional Name: N-[(E)-(6-methyl-2-pyridyl)methyleneamino]azepane-1-carbothioamide Formula: C14H20N4S MolecularWeight: 276.4004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C=NNC(=S)N2CCCCCC2

Isomeric SMILES

CC1=CC=CC(=N1)/C=N/NC(=S)N2CCCCCC2

InChI

InChI=1S/C14H20N4S/c1-12-7-6-8-13(16-12)11-15-17-14(19)18-9-4-2-3-5-10-18/h6-8,11H,2-5,9-10H2,1H3,(H,17,19)/b15-11+