[2-(4-bromanyl-2-fluoranyl-phenyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl] N-ethylcarbamodithioate

Systemtic Name: [2-(4-bromanyl-2-fluoranyl-phenyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl] N-ethylcarbamodithioate Openeye Name: [2-(4-bromo-2-fluoro-phenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] N-ethylcarbamodithioate CAS Name: N-ethylcarbamodithioic acid [2-(4-bromo-2-fluorophenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ester IUPAC Name: [2-(4-bromo-2-fluorophenyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] N-ethylcarbamodithioate Traditional Name: N-ethylcarbamodithioic acid [2-(4-bromo-2-fluoro-phenyl)-3-keto-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ester Formula: C17H18BrFN2OS2 MolecularWeight: 429.370023

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)SC1C2=C(CCCC2)C(=O)N1C3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCNC(=S)SC1C2=C(CCCC2)C(=O)N1C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H18BrFN2OS2/c1-2-20-17(23)24-16-12-6-4-3-5-11(12)15(22)21(16)14-8-7-10(18)9-13(14)19/h7-9,16H,2-6H2,1H3,(H,20,23)