3-cyclohexyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]propanamide

Systemtic Name: 3-cyclohexyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]propanamide Openeye Name: 3-cyclohexyl-N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]propionamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H27N3O4S2/c25-20(13-8-16-5-2-1-3-6-16)24-21(29)23-17-9-11-19(12-10-17)30(26,27)22-15-18-7-4-14-28-18/h4,7,9-12,14,16,22H,1-3,5-6,8,13,15H2,(H2,23,24,25,29)