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

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]benzamide CAS Name: N-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiocarbamoyl]benzamide Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S2/c1-22-11-13-23(14-12-22)28(25,26)17-9-7-16(8-10-17)20-19(27)21-18(24)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H2,20,21,24,27)/p+1