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

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[(4-sulfamoylphenyl)carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[(4-sulfamoylphenyl)carbamothioylamino]pentanoate CAS Name: 5-oxo-5-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[(4-sulfamoylphenyl)carbamothioylamino]pentanoate Traditional Name: 5-keto-5-[(4-sulfamoylphenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S2/c22-31(27,28)18-13-11-17(12-14-18)23-21(30)24-19(25)9-4-10-20(26)29-15-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-14H,4-5,8-10,15H2,(H2,22,27,28)(H2,23,24,25,30)