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

Systemtic Name: 3-phenylpropyl 5-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(acetylsulfamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H27N3O6S2 MolecularWeight: 505.60698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6S2/c1-17(27)26-34(30,31)20-14-12-19(13-15-20)24-23(33)25-21(28)10-5-11-22(29)32-16-6-9-18-7-3-2-4-8-18/h2-4,7-8,12-15H,5-6,9-11,16H2,1H3,(H,26,27)(H2,24,25,28,33)