2-chloranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C19H22ClN4OS+ MolecularWeight: 389.92218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H21ClN4OS/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)21-19(26)22-18(25)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H2,21,22,25,26)/p+1