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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]acetamide Formula: C23H16ClN3O3S MolecularWeight: 449.90944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H16ClN3O3S/c24-15-11-9-14(10-12-15)13-19(28)26-23(31)25-18-8-4-7-17-20(18)22(30)27(21(17)29)16-5-2-1-3-6-16/h1-12H,13H2,(H2,25,26,28,31)