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

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C17H27N4OS+ MolecularWeight: 335.48748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4OS/c1-4-20-9-11-21(12-10-20)15-7-5-14(6-8-15)18-17(23)19-16(22)13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H2,18,19,22,23)/p+1