3-methyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]benzamide

Systemtic Name: 3-methyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: 3-methyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]benzamide CAS Name: 3-methyl-N-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: 3-methyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C20H25N4O3S2+ MolecularWeight: 433.5675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H24N4O3S2/c1-15-4-3-5-16(14-15)19(25)22-20(28)21-17-6-8-18(9-7-17)29(26,27)24-12-10-23(2)11-13-24/h3-9,14H,10-13H2,1-2H3,(H2,21,22,25,28)/p+1