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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C23H15BrClN3O4S MolecularWeight: 544.8049

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl)Br

InChI

InChI=1S/C23H15BrClN3O4S/c1-32-19-9-6-12(10-16(19)24)20(29)27-23(33)26-18-8-7-13(11-17(18)25)28-21(30)14-4-2-3-5-15(14)22(28)31/h2-11H,1H3,(H2,26,27,29,33)