2-(2-chloranylphenoxy)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(2-chloranylphenoxy)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(2-chlorophenoxy)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(2-chlorophenoxy)-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-chlorophenoxy)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(2-chlorophenoxy)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]acetamide Formula: C20H24ClN4O2S+ MolecularWeight: 419.94816

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-24-10-12-25(13-11-24)16-8-6-15(7-9-16)22-20(28)23-19(26)14-27-18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H2,22,23,26,28)/p+1