3-phenylpropyl 4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C23H24N4O5S3 MolecularWeight: 532.65546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

InChI

InChI=1S/C23H24N4O5S3/c28-20(12-13-21(29)32-15-4-7-17-5-2-1-3-6-17)26-22(33)25-18-8-10-19(11-9-18)35(30,31)27-23-24-14-16-34-23/h1-3,5-6,8-11,14,16H,4,7,12-13,15H2,(H,24,27)(H2,25,26,28,33)