4-[(3,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2-ethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3,4-dichlorobenzyl)-N-o-phenetyl-piperazin-4-ium-1-carbothioamide Formula: C20H24Cl2N3OS+ MolecularWeight: 425.39506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H23Cl2N3OS/c1-2-26-19-6-4-3-5-18(19)23-20(27)25-11-9-24(10-12-25)14-15-7-8-16(21)17(22)13-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)/p+1