N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C20H24FN4OS+ MolecularWeight: 387.494163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4OS/c1-2-24-11-13-25(14-12-24)18-9-7-17(8-10-18)22-20(27)23-19(26)15-3-5-16(21)6-4-15/h3-10H,2,11-14H2,1H3,(H2,22,23,26,27)/p+1