3,4,5-trimethoxy-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[(4-methyl-1-piperazin-4-iumyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(4-methylpiperazin-4-ium-1-yl)thiocarbamoyl]benzamide Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S/c1-19-5-7-20(8-6-19)18-16(25)17-15(21)11-9-12(22-2)14(24-4)13(10-11)23-3/h9-10H,5-8H2,1-4H3,(H2,17,18,21,25)/p+1