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

Systemtic Name: 3-butoxy-N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C24H32ClN4O2S+ MolecularWeight: 476.05448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4O2S/c1-3-5-15-31-20-8-6-7-18(16-20)23(30)27-24(32)26-19-9-10-22(21(25)17-19)29-13-11-28(4-2)12-14-29/h6-10,16-17H,3-5,11-15H2,1-2H3,(H2,26,27,30,32)/p+1