2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-N-[2-(3-thienylmethylsulfanyl)phenyl]acetamide CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)-N-[2-(3-thiophenylmethylthio)phenyl]acetamide IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[2-(3-thenylthio)phenyl]acetamide Formula: C21H15N3O5S2 MolecularWeight: 453.4909

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])SCC4=CSC=C4

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])SCC4=CSC=C4

InChI

InChI=1S/C21H15N3O5S2/c25-18(22-15-5-1-2-7-17(15)31-12-13-8-9-30-11-13)10-23-20(26)14-4-3-6-16(24(28)29)19(14)21(23)27/h1-9,11H,10,12H2,(H,22,25)