3-phenylpropyl 4-oxidanylidene-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-sulfamoylphenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c21-30(26,27)17-10-8-16(9-11-17)22-20(29)23-18(24)12-13-19(25)28-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H2,21,26,27)(H2,22,23,24,29)