5-bromanyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiocarbamoyl]-2-furamide Formula: C17H20BrN4O4S2+ MolecularWeight: 488.3991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H19BrN4O4S2/c1-21-8-10-22(11-9-21)28(24,25)13-4-2-12(3-5-13)19-17(27)20-16(23)14-6-7-15(18)26-14/h2-7H,8-11H2,1H3,(H2,19,20,23,27)/p+1