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

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S2/c1-22-10-12-23(13-11-22)31(28,29)15-8-6-14(7-9-15)20-19(30)21-18(25)16-4-2-3-5-17(16)24(26)27/h2-9H,10-13H2,1H3,(H2,20,21,25,30)