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

Systemtic Name: 3-bromanyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H22BrN3O5S2 MolecularWeight: 552.46118

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C22H22BrN3O5S2/c1-2-11-31-20-10-5-15(13-19(20)23)21(27)26-22(32)25-16-6-8-18(9-7-16)33(28,29)24-14-17-4-3-12-30-17/h3-10,12-13,24H,2,11,14H2,1H3,(H2,25,26,27,32)