1-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-thiourea

Systemtic Name: 1-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-thiourea Openeye Name: 1-(4-nitro-1,3-dioxo-isoindolin-2-yl)-3-phenyl-thiourea CAS Name: 1-(4-nitro-1,3-dioxo-2-isoindolyl)-3-phenylthiourea IUPAC Name: 1-(4-nitro-1,3-dioxoisoindol-2-yl)-3-phenylthiourea Traditional Name: 1-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-phenyl-thiourea Formula: C15H10N4O4S MolecularWeight: 342.3293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O4S/c20-13-10-7-4-8-11(19(22)23)12(10)14(21)18(13)17-15(24)16-9-5-2-1-3-6-9/h1-8H,(H2,16,17,24)