methyl 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dichlorobenzyl)piperazin-4-ium-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24Cl2N3O2S2+ MolecularWeight: 473.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C20H23Cl2N3O2S2/c1-3-14-11-15(19(26)27-2)18(29-14)23-20(28)25-8-6-24(7-9-25)12-13-4-5-16(21)17(22)10-13/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,23,28)/p+1