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

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorobenzyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H23Cl2N3O2S MolecularWeight: 440.38652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl)OC

InChI

InChI=1S/C20H23Cl2N3O2S/c1-26-15-4-6-18(19(12-15)27-2)24-7-9-25(10-8-24)20(28)23-13-14-3-5-16(21)17(22)11-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,28)