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

Systemtic Name: 3-bromanyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C24H26BrN3O5S2 MolecularWeight: 580.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C24H26BrN3O5S2/c1-16(2)11-13-33-22-10-5-17(14-21(22)25)23(29)28-24(34)27-18-6-8-20(9-7-18)35(30,31)26-15-19-4-3-12-32-19/h3-10,12,14,16,26H,11,13,15H2,1-2H3,(H2,27,28,29,34)