3-phenylpropyl 5-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(tert-butylsulfamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H33N3O5S2 MolecularWeight: 519.67662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5S2/c1-25(2,3)28-35(31,32)21-16-14-20(15-17-21)26-24(34)27-22(29)12-7-13-23(30)33-18-8-11-19-9-5-4-6-10-19/h4-6,9-10,14-17,28H,7-8,11-13,18H2,1-3H3,(H2,26,27,29,34)