phenethyl 4-oxidanylidene-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-sulfamoylphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S2/c20-29(25,26)16-8-6-15(7-9-16)21-19(28)22-17(23)10-11-18(24)27-13-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,20,25,26)(H2,21,22,23,28)