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

Systemtic Name: 4-butoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C24H33N4O2S+ MolecularWeight: 441.60942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC

InChI

InChI=1S/C24H32N4O2S/c1-3-5-18-30-22-12-6-19(7-13-22)23(29)26-24(31)25-20-8-10-21(11-9-20)28-16-14-27(4-2)15-17-28/h6-13H,3-5,14-18H2,1-2H3,(H2,25,26,29,31)/p+1