methyl 4-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[3-[methyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-[methyl(phenyl)sulfamoyl]phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C19H23N3O4S2 MolecularWeight: 421.53362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C19H23N3O4S2/c1-22(16-9-4-3-5-10-16)28(24,25)17-11-6-8-15(14-17)21-19(27)20-13-7-12-18(23)26-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,20,21,27)