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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H16ClN3O3S/c1-13-10-11-15(17(24)12-13)20(28)26-23(31)25-18-9-5-8-16-19(18)22(30)27(21(16)29)14-6-3-2-4-7-14/h2-12H,1H3,(H2,25,26,28,31)