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

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]valeramide Formula: C18H28ClN4OS+ MolecularWeight: 383.95912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4OS/c1-3-5-6-17(24)21-18(25)20-14-7-8-16(15(19)13-14)23-11-9-22(4-2)10-12-23/h7-8,13H,3-6,9-12H2,1-2H3,(H2,20,21,24,25)/p+1