3-(1H-indol-3-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]propionic acid Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=S)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H20N4O4S2/c20-29(26,27)14-7-5-12(6-8-14)10-22-19(28)23-17(18(24)25)9-13-11-21-16-4-2-1-3-15(13)16/h1-8,11,17,21H,9-10H2,(H,24,25)(H2,20,26,27)(H2,22,23,28)