N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-1-naphthamide Formula: C26H15BrClN3O3S MolecularWeight: 564.8376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)Cl

InChI

InChI=1S/C26H15BrClN3O3S/c27-20-10-4-7-15-16(20)8-3-9-17(15)23(32)30-26(35)29-22-12-11-14(13-21(22)28)31-24(33)18-5-1-2-6-19(18)25(31)34/h1-13H,(H2,29,30,32,35)