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

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Openeye Name: (2R)-3-(1H-indol-3-yl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[(4-sulfamoylphenyl)carbamothioylamino]propanoic acid Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(4-sulfamoylphenyl)thiocarbamoylamino]propionic acid Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H18N4O4S2/c19-28(25,26)13-7-5-12(6-8-13)21-18(27)22-16(17(23)24)9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,16,20H,9H2,(H,23,24)(H2,19,25,26)(H2,21,22,27)/t16-/m1/s1