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

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]butanamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]butyramide Formula: C17H26ClN4OS+ MolecularWeight: 369.93254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4OS/c1-3-5-16(23)20-17(24)19-13-6-7-15(14(18)12-13)22-10-8-21(4-2)9-11-22/h6-7,12H,3-5,8-11H2,1-2H3,(H2,19,20,23,24)/p+1