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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[[4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(4-phthalimidophenyl)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=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

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

InChI

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