N-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-[(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]octanamide CAS Name: N-[[4-[(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-(benzylsulfamoyl)phenyl]carbamothioyl]octanamide Traditional Name: N-[[4-(benzylsulfamoyl)phenyl]thiocarbamoyl]caprylamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O3S2/c1-2-3-4-5-9-12-21(26)25-22(29)24-19-13-15-20(16-14-19)30(27,28)23-17-18-10-7-6-8-11-18/h6-8,10-11,13-16,23H,2-5,9,12,17H2,1H3,(H2,24,25,26,29)