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

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]acetamide Formula: C15H22ClN4OS+ MolecularWeight: 341.87938

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C)Cl

InChI

InChI=1S/C15H21ClN4OS/c1-3-19-6-8-20(9-7-19)14-5-4-12(10-13(14)16)18-15(22)17-11(2)21/h4-5,10H,3,6-9H2,1-2H3,(H2,17,18,21,22)/p+1