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

Systemtic Name: 5-bromanyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-2-furamide Formula: C17H19BrN4O4S2 MolecularWeight: 487.39116

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CN1CCN(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)