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

Systemtic Name: 3-ethoxy-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S2/c1-2-28-17-6-3-5-15(13-17)20(25)24-21(30)23-16-8-10-19(11-9-16)31(26,27)22-14-18-7-4-12-29-18/h3-13,22H,2,14H2,1H3,(H2,23,24,25,30)