N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide

Systemtic Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide Openeye Name: N-(4,5-dihydrothiazol-2-yl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzamide CAS Name: N-(4,5-dihydrothiazol-2-yl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)benzamide IUPAC Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(2-thiazolin-2-yl)benzamide Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CSC(=N1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S/c23-15(20-18-19-6-7-28-18)10-2-1-3-11(8-10)21-16(24)13-5-4-12(22(26)27)9-14(13)17(21)25/h1-5,8-9H,6-7H2,(H,19,20,23)