3-ethoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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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(=CC=C3)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-3-25-12-14-26(15-13-25)19-10-8-18(9-11-19)23-22(29)24-21(27)17-6-5-7-20(16-17)28-4-2/h5-11,16H,3-4,12-15H2,1-2H3,(H2,23,24,27,29)/p+1