N-(5-chloranyl-2-methoxy-phenyl)azepane-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)azepane-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)azepane-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-azepanecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)azepane-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)azepane-1-carbothioamide Formula: C14H19ClN2OS MolecularWeight: 298.83146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCCCCC2

InChI

InChI=1S/C14H19ClN2OS/c1-18-13-7-6-11(15)10-12(13)16-14(19)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,19)