3,5-bis(chloranyl)-4-methoxy-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-4-methoxy-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-4-methoxy-N-[[2-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-4-methoxy-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-4-methoxy-N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C20H23Cl2N4O2S+ MolecularWeight: 454.39322

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

InChI

InChI=1S/C20H22Cl2N4O2S/c1-25-7-9-26(10-8-25)17-6-4-3-5-16(17)23-20(29)24-19(27)13-11-14(21)18(28-2)15(22)12-13/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,27,29)/p+1