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

Systemtic Name: 3,4,5-triethoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C26H37N4O4S+ MolecularWeight: 501.66138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O4S/c1-5-29-13-15-30(16-14-29)21-11-9-20(10-12-21)27-26(35)28-25(31)19-17-22(32-6-2)24(34-8-4)23(18-19)33-7-3/h9-12,17-18H,5-8,13-16H2,1-4H3,(H2,27,28,31,35)/p+1