N-methyl-2-oxidanylidene-1-pyridin-3-yl-cycloheptane-1-carbothioamide

Systemtic Name: N-methyl-2-oxidanylidene-1-pyridin-3-yl-cycloheptane-1-carbothioamide Openeye Name: N-methyl-2-oxo-1-(3-pyridyl)cycloheptanecarbothioamide CAS Name: N-methyl-2-oxo-1-(3-pyridinyl)-1-cycloheptanecarbothioamide IUPAC Name: N-methyl-2-oxo-1-pyridin-3-ylcycloheptane-1-carbothioamide Traditional Name: 2-keto-N-methyl-1-(3-pyridyl)cycloheptanecarbothioamide Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCCC1=O)C2=CN=CC=C2

Isomeric SMILES

CNC(=S)C1(CCCCCC1=O)C2=CN=CC=C2

InChI

InChI=1S/C14H18N2OS/c1-15-13(18)14(11-6-5-9-16-10-11)8-4-2-3-7-12(14)17/h5-6,9-10H,2-4,7-8H2,1H3,(H,15,18)