O-[2-[5-tert-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-methylphenyl)carbamothioate

Systemtic Name: O-[2-[5-tert-butyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-methylphenyl)carbamothioate Openeye Name: O-[2-(5-tert-butyl-1,3-dioxo-isoindolin-2-yl)ethyl] N-(p-tolyl)carbamothioate CAS Name: N-(4-methylphenyl)carbamothioic acid O-[2-(5-tert-butyl-1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(5-tert-butyl-1,3-dioxoisoindol-2-yl)ethyl] N-(4-methylphenyl)carbamothioate Traditional Name: N-(p-tolyl)thiocarbamic acid O-[2-(5-tert-butyl-1,3-diketo-isoindolin-2-yl)ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H24N2O3S/c1-14-5-8-16(9-6-14)23-21(28)27-12-11-24-19(25)17-10-7-15(22(2,3)4)13-18(17)20(24)26/h5-10,13H,11-12H2,1-4H3,(H,23,28)