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

Systemtic Name: 4-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(3,4-dichlorophenyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C21H25Cl2N3O2S MolecularWeight: 454.4131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)OC

InChI

InChI=1S/C21H25Cl2N3O2S/c1-27-19-6-3-15(13-20(19)28-2)7-8-24-21(29)26-11-9-25(10-12-26)16-4-5-17(22)18(23)14-16/h3-6,13-14H,7-12H2,1-2H3,(H,24,29)