4-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chlorobenzyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O2S/c1-25-17-7-8-19(26-2)18(13-17)22-20(27)24-11-9-23(10-12-24)14-15-3-5-16(21)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)