3-phenylpropyl 5-oxidanylidene-5-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C24H26N4O5S3 MolecularWeight: 546.68204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O5S3/c29-21(9-4-10-22(30)33-16-5-8-18-6-2-1-3-7-18)27-23(34)26-19-11-13-20(14-12-19)36(31,32)28-24-25-15-17-35-24/h1-3,6-7,11-15,17H,4-5,8-10,16H2,(H,25,28)(H2,26,27,29,34)