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

Systemtic Name: 3-bromanyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H24BrN3O5S2 MolecularWeight: 614.53056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4)Br

InChI

InChI=1S/C27H24BrN3O5S2/c28-24-17-20(8-13-25(24)36-16-14-19-5-2-1-3-6-19)26(32)31-27(37)30-21-9-11-23(12-10-21)38(33,34)29-18-22-7-4-15-35-22/h1-13,15,17,29H,14,16,18H2,(H2,30,31,32,37)