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

Systemtic Name: 4-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C22H28ClN3O2S/c1-27-20-8-7-17(15-21(20)28-2)9-10-24-22(29)26-13-11-25(12-14-26)16-18-5-3-4-6-19(18)23/h3-8,15H,9-14,16H2,1-2H3,(H,24,29)