methyl 6-[[(5-fluoranyl-2-oxidanylidene-indol-3-yl)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(5-fluoranyl-2-oxidanylidene-indol-3-yl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(5-fluoro-2-oxo-indol-3-yl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(5-fluoro-2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(5-fluoro-2-oxoindol-3-yl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(5-fluoro-2-keto-indol-3-yl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H19FN4O3S MolecularWeight: 366.410463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC1=C2C=C(C=CC2=NC1=O)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC1=C2C=C(C=CC2=NC1=O)F

InChI

InChI=1S/C16H19FN4O3S/c1-24-13(22)5-3-2-4-8-18-16(25)21-20-14-11-9-10(17)6-7-12(11)19-15(14)23/h6-7,9H,2-5,8H2,1H3,(H2,18,21,25)(H,19,20,23)