1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea CAS Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiourea Formula: C17H20N4O5S2 MolecularWeight: 424.4945

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H20N4O5S2/c1-20(2)28(25,26)15-5-3-4-13(10-15)19-17(27)18-11-16(22)12-6-8-14(9-7-12)21(23)24/h3-10,16,22H,11H2,1-2H3,(H2,18,19,27)/t16-/m1/s1