O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-cyclohexylcarbamothioate

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-cyclohexylcarbamothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-cyclohexylcarbamothioate CAS Name: N-cyclohexylcarbamothioic acid O-[2-(1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-cyclohexylcarbamothioate Traditional Name: N-cyclohexylthiocarbamic acid O-(2-phthalimidoethyl) ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(CC1)NC(=S)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N2O3S/c20-15-13-8-4-5-9-14(13)16(21)19(15)10-11-22-17(23)18-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,23)