[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-3-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoate CAS Name: (2S)-3-phenyl-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]propanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-3-phenyl-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoate Traditional Name: (2S)-3-phenyl-2-[(4-sulfamoylphenyl)thiocarbamoylamino]propionic acid [2-keto-2-(methylamino)ethyl] ester Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CNC(=O)COC(=O)[C@H](CC1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C19H22N4O5S2/c1-21-17(24)12-28-18(25)16(11-13-5-3-2-4-6-13)23-19(29)22-14-7-9-15(10-8-14)30(20,26)27/h2-10,16H,11-12H2,1H3,(H,21,24)(H2,20,26,27)(H2,22,23,29)/t16-/m0/s1