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

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-bromanyl-2-methyl-phenyl)carbamothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-(4-bromo-2-methyl-phenyl)carbamothioate CAS Name: N-(4-bromo-2-methylphenyl)carbamothioic acid O-[2-(1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-(4-bromo-2-methylphenyl)carbamothioate Traditional Name: N-(4-bromo-2-methyl-phenyl)thiocarbamic acid O-(2-phthalimidoethyl) ester Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H15BrN2O3S/c1-11-10-12(19)6-7-15(11)20-18(25)24-9-8-21-16(22)13-4-2-3-5-14(13)17(21)23/h2-7,10H,8-9H2,1H3,(H,20,25)