N-(3-methoxyphenyl)azepane-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)azepane-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)azepane-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-1-azepanecarbothioamide IUPAC Name: N-(3-methoxyphenyl)azepane-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)azepane-1-carbothioamide Formula: C14H20N2OS MolecularWeight: 264.3864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCCCCC2

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCCCCC2

InChI

InChI=1S/C14H20N2OS/c1-17-13-8-6-7-12(11-13)15-14(18)16-9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,15,18)