N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-4-heptoxy-benzamide Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C26H31N3O5S2/c1-2-3-4-5-6-17-33-22-13-9-20(10-14-22)25(30)29-26(35)28-21-11-15-24(16-12-21)36(31,32)27-19-23-8-7-18-34-23/h7-16,18,27H,2-6,17,19H2,1H3,(H2,28,29,30,35)