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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]ethanamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-2-phthalimido-acetamide Formula: C18H14BrN3O3S MolecularWeight: 432.29106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)Br

InChI

InChI=1S/C18H14BrN3O3S/c1-10-6-7-14(13(19)8-10)20-18(26)21-15(23)9-22-16(24)11-4-2-3-5-12(11)17(22)25/h2-8H,9H2,1H3,(H2,20,21,23,26)