O-[2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-ethylphenyl)carbamothioate

Systemtic Name: O-[2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-ethylphenyl)carbamothioate Openeye Name: O-[2-(5-methyl-1,3-dioxo-isoindolin-2-yl)ethyl] N-(4-ethylphenyl)carbamothioate CAS Name: N-(4-ethylphenyl)carbamothioic acid O-[2-(5-methyl-1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl] N-(4-ethylphenyl)carbamothioate Traditional Name: N-(4-ethylphenyl)thiocarbamic acid O-[2-(1,3-diketo-5-methyl-isoindolin-2-yl)ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C20H20N2O3S/c1-3-14-5-7-15(8-6-14)21-20(26)25-11-10-22-18(23)16-9-4-13(2)12-17(16)19(22)24/h4-9,12H,3,10-11H2,1-2H3,(H,21,26)