2-(4-chlorophenyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]acetamide Formula: C21H26ClN4OS+ MolecularWeight: 417.97534

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4OS/c1-2-25-11-13-26(14-12-25)19-9-7-18(8-10-19)23-21(28)24-20(27)15-16-3-5-17(22)6-4-16/h3-10H,2,11-15H2,1H3,(H2,23,24,27,28)/p+1