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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

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