1-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea Formula: C16H18N4O6S2 MolecularWeight: 426.46732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6S2/c17-28(25,26)13-7-3-11(4-8-13)18-16(27)19-14(9-21)15(22)10-1-5-12(6-2-10)20(23)24/h1-8,14-15,21-22H,9H2,(H2,17,25,26)(H2,18,19,27)