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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C24H18BrN3O4S MolecularWeight: 524.38642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C24H18BrN3O4S/c1-2-32-19-12-11-14(13-17(19)25)21(29)27-24(33)26-18-10-6-9-16-20(18)23(31)28(22(16)30)15-7-4-3-5-8-15/h3-13H,2H2,1H3,(H2,26,27,29,33)