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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br

InChI

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