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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C23H16BrN3O4S MolecularWeight: 510.35984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H16BrN3O4S/c1-31-18-11-10-13(24)12-16(18)20(28)26-23(32)25-17-9-5-8-15-19(17)22(30)27(21(15)29)14-6-3-2-4-7-14/h2-12H,1H3,(H2,25,26,28,32)