3-phenylpropyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[4-(sec-butylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C24H31N3O5S2 MolecularWeight: 505.65004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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