3-phenylpropyl 4-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H31N3O5S2 MolecularWeight: 505.65004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H31N3O5S2/c1-24(2,3)27-34(30,31)20-13-11-19(12-14-20)25-23(33)26-21(28)15-16-22(29)32-17-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,27H,7,10,15-17H2,1-3H3,(H2,25,26,28,33)