N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-azepanecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-1-carbothioamide Traditional Name: N-homoveratrylazepane-1-carbothioamide Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-20-15-8-7-14(13-16(15)21-2)9-10-18-17(22)19-11-5-3-4-6-12-19/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,22)