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

Systemtic Name: 3-phenylpropyl 5-[[4-(dimethylsulfamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-(dimethylsulfamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(dimethylsulfamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S2/c1-26(2)33(29,30)20-15-13-19(14-16-20)24-23(32)25-21(27)11-6-12-22(28)31-17-7-10-18-8-4-3-5-9-18/h3-5,8-9,13-16H,6-7,10-12,17H2,1-2H3,(H2,24,25,27,32)