dimethyl 2-[2-(5-fluoranyl-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(5-fluoranyl-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(5-fluoro-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[2-(5-fluoro-1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(5-fluoro-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(5-fluoro-1H-indol-3-yl)ethylthiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H20FN3O4S MolecularWeight: 429.464603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NCCC2=CNC3=C2C=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NCCC2=CNC3=C2C=C(C=C3)F

InChI

InChI=1S/C21H20FN3O4S/c1-28-19(26)12-3-5-15(20(27)29-2)18(9-12)25-21(30)23-8-7-13-11-24-17-6-4-14(22)10-16(13)17/h3-6,9-11,24H,7-8H2,1-2H3,(H2,23,25,30)