4-[(3,4-dichlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3,4-dichlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3,4-dichlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3,4-dichlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3,4-dichlorobenzyl)-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C20H24Cl2N3O2S+ MolecularWeight: 441.39446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl)OC

InChI

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