N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-2-bromanyl-5-nitro-benzamide

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-2-bromanyl-5-nitro-benzamide Openeye Name: 2-bromo-N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-5-nitro-benzamide Formula: C22H12BrClN4O5S MolecularWeight: 559.77648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C22H12BrClN4O5S/c23-16-7-5-12(28(32)33)9-15(16)19(29)26-22(34)25-18-8-6-11(10-17(18)24)27-20(30)13-3-1-2-4-14(13)21(27)31/h1-10H,(H2,25,26,29,34)