3-phenylpropyl 5-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(sec-butylsulfamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-[[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C25H33N3O5S2 MolecularWeight: 519.67662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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