4-tert-butyl-N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(1,3-diketo-2-methyl-isoindolin-5-yl)thiocarbamoyl]benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C21H21N3O3S/c1-21(2,3)13-7-5-12(6-8-13)17(25)23-20(28)22-14-9-10-15-16(11-14)19(27)24(4)18(15)26/h5-11H,1-4H3,(H2,22,23,25,28)