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

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]hexanamide Formula: C19H30ClN4OS+ MolecularWeight: 397.9857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CC[NH+](CC2)CC)Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CC[NH+](CC2)CC)Cl

InChI

InChI=1S/C19H29ClN4OS/c1-3-5-6-7-18(25)22-19(26)21-15-8-9-17(16(20)14-15)24-12-10-23(4-2)11-13-24/h8-9,14H,3-7,10-13H2,1-2H3,(H2,21,22,25,26)/p+1