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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-3-bromanyl-benzamide Openeye Name: 3-bromo-N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]benzamide Formula: C22H13BrClN3O3S MolecularWeight: 514.77892

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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(=CC=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br)Cl

InChI

InChI=1S/C22H13BrClN3O3S/c23-13-5-3-4-12(10-13)19(28)26-22(31)25-18-9-8-14(11-17(18)24)27-20(29)15-6-1-2-7-16(15)21(27)30/h1-11H,(H2,25,26,28,31)