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

Systemtic Name: 2,5-bis(chloranyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2,5-dichloro-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2,5-dichloro-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,5-dichloro-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2,5-dichloro-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C20H23Cl2N4OS+ MolecularWeight: 438.39382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2N4OS/c1-2-25-9-11-26(12-10-25)16-6-4-15(5-7-16)23-20(28)24-19(27)17-13-14(21)3-8-18(17)22/h3-8,13H,2,9-12H2,1H3,(H2,23,24,27,28)/p+1