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

Systemtic Name: 1-(2-nitrophenyl)-3-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]thiourea Openeye Name: 1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(2-nitrophenyl)thiourea CAS Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(2-nitrophenyl)thiourea Traditional Name: 1-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(2-nitrophenyl)thiourea Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O6S/c21-9-13(15(22)10-5-7-11(8-6-10)19(23)24)18-16(27)17-12-3-1-2-4-14(12)20(25)26/h1-8,13,15,21-22H,9H2,(H2,17,18,27)