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

Systemtic Name: 3,4,5-triethoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C25H34N4O4S/c1-5-31-21-16-18(17-22(32-6-2)23(21)33-7-3)24(30)27-25(34)26-19-8-10-20(11-9-19)29-14-12-28(4)13-15-29/h8-11,16-17H,5-7,12-15H2,1-4H3,(H2,26,27,30,34)/p+1