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

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]coumarilamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N4O2S/c1-2-25-11-13-26(14-12-25)18-9-7-17(8-10-18)23-22(29)24-21(27)20-15-16-5-3-4-6-19(16)28-20/h3-10,15H,2,11-14H2,1H3,(H2,23,24,27,29)/p+1