N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C17H26ClN4OS+ MolecularWeight: 369.93254

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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(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4OS/c1-4-21-7-9-22(10-8-21)15-6-5-13(11-14(15)18)19-17(24)20-16(23)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H2,19,20,23,24)/p+1