1-[1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(2-nitrophenyl)urea

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]-3-(2-nitrophenyl)urea Openeye Name: 1-[2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfanylphenyl)ethyl]-3-(2-nitrophenyl)urea CAS Name: 1-[1,3-dihydroxy-1-[4-(methylthio)phenyl]propan-2-yl]-3-(2-nitrophenyl)urea IUPAC Name: 1-[1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]-3-(2-nitrophenyl)urea Traditional Name: 1-[2-hydroxy-1-methylol-2-[4-(methylthio)phenyl]ethyl]-3-(2-nitrophenyl)urea Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C(CO)NC(=O)NC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C(CO)NC(=O)NC2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C17H19N3O5S/c1-26-12-8-6-11(7-9-12)16(22)14(10-21)19-17(23)18-13-4-2-3-5-15(13)20(24)25/h2-9,14,16,21-22H,10H2,1H3,(H2,18,19,23)