N-(3,4-dimethoxyphenyl)azepane-1-carbothioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)azepane-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)azepane-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-1-azepanecarbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)azepane-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)azepane-1-carbothioamide Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S/c1-18-13-8-7-12(11-14(13)19-2)16-15(20)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,20)