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

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3S/c1-22-10-12-23(13-11-22)17-9-5-3-7-15(17)20-19(28)21-18(25)14-6-2-4-8-16(14)24(26)27/h2-9H,10-13H2,1H3,(H2,20,21,25,28)/p+1