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

Systemtic Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C25H29N3O5S2 MolecularWeight: 515.64486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C25H29N3O5S2/c1-2-3-4-5-16-32-21-12-8-19(9-13-21)24(29)28-25(34)27-20-10-14-23(15-11-20)35(30,31)26-18-22-7-6-17-33-22/h6-15,17,26H,2-5,16,18H2,1H3,(H2,27,28,29,34)