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

Systemtic Name: 3,5-diethoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-diethoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-diethoxy-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-diethoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-diethoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)OCC

InChI

InChI=1S/C23H30N4O3S/c1-4-29-20-14-17(15-21(16-20)30-5-2)22(28)25-23(31)24-18-6-8-19(9-7-18)27-12-10-26(3)11-13-27/h6-9,14-16H,4-5,10-13H2,1-3H3,(H2,24,25,28,31)/p+1