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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]benzamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O3S/c1-26(2,3)17-14-12-16(13-15-17)22(30)28-25(33)27-20-11-7-10-19-21(20)24(32)29(23(19)31)18-8-5-4-6-9-18/h4-15H,1-3H3,(H2,27,28,30,33)