3-bromanyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C20H18BrN3O4S2 MolecularWeight: 508.40862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C20H18BrN3O4S2/c1-13-4-5-14(11-18(13)21)19(25)24-20(29)23-15-6-8-17(9-7-15)30(26,27)22-12-16-3-2-10-28-16/h2-11,22H,12H2,1H3,(H2,23,24,25,29)