methyl 6-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[4-methyl-3-(methylsulfamoyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[4-methyl-3-(methylsulfamoyl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H25N3O4S2 MolecularWeight: 387.5174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCCCCC(=O)OC)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCCCCC(=O)OC)S(=O)(=O)NC

InChI

InChI=1S/C16H25N3O4S2/c1-12-8-9-13(11-14(12)25(21,22)17-2)19-16(24)18-10-6-4-5-7-15(20)23-3/h8-9,11,17H,4-7,10H2,1-3H3,(H2,18,19,24)