2-(1-adamantyl)-N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(1,3-diketo-2-methyl-isoindolin-5-yl)thiocarbamoyl]acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25N3O3S/c1-25-19(27)16-3-2-15(7-17(16)20(25)28)23-21(29)24-18(26)11-22-8-12-4-13(9-22)6-14(5-12)10-22/h2-3,7,12-14H,4-6,8-11H2,1H3,(H2,23,24,26,29)