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

Systemtic Name: 4-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S/c1-26-19-7-6-16(14-20(19)27-2)8-9-23-21(28)25-12-10-24(11-13-25)18-5-3-4-17(22)15-18/h3-7,14-15H,8-13H2,1-2H3,(H,23,28)