N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-furamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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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=CO3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H22N4O2S/c1-2-21-9-11-22(12-10-21)15-7-5-14(6-8-15)19-18(25)20-17(23)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3,(H2,19,20,23,25)/p+1