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

Systemtic Name: 4-cycloheptyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-cycloheptyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-cycloheptyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-cycloheptyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-cycloheptyl-N-homoveratryl-piperazine-1-carbothioamide Formula: C22H35N3O2S MolecularWeight: 405.5972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3CCCCCC3)OC

InChI

InChI=1S/C22H35N3O2S/c1-26-20-10-9-18(17-21(20)27-2)11-12-23-22(28)25-15-13-24(14-16-25)19-7-5-3-4-6-8-19/h9-10,17,19H,3-8,11-16H2,1-2H3,(H,23,28)