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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]benzamide Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN3O3S/c1-26(2,3)16-10-8-15(9-11-16)22(31)29-25(34)28-21-13-12-17(14-20(21)27)30-23(32)18-6-4-5-7-19(18)24(30)33/h4-14H,1-3H3,(H2,28,29,31,34)