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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-3-bromanyl-benzamide Openeye Name: 3-bromo-N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]benzamide Formula: C22H14BrN3O3S MolecularWeight: 480.33386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H14BrN3O3S/c23-14-7-4-6-13(12-14)19(27)25-22(30)24-17-11-5-10-16-18(17)21(29)26(20(16)28)15-8-2-1-3-9-15/h1-12H,(H2,24,25,27,30)