4-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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