4-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H24N5O4S+ MolecularWeight: 430.50066

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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(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4S/c1-23-9-11-24(12-10-23)16-6-4-15(5-7-16)21-20(30)22-19(26)14-3-8-18(29-2)17(13-14)25(27)28/h3-8,13H,9-12H2,1-2H3,(H2,21,22,26,30)/p+1