N-(4-chloranyl-2,5-dimethoxy-phenyl)cycloheptanecarbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)cycloheptanecarbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)cycloheptanecarbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)cycloheptanecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)cycloheptanecarbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)cycloheptanecarbothioamide Formula: C16H22ClNO2S MolecularWeight: 327.86938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)C2CCCCCC2)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)C2CCCCCC2)OC)Cl

InChI

InChI=1S/C16H22ClNO2S/c1-19-14-10-13(15(20-2)9-12(14)17)18-16(21)11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,18,21)