methyl 6-[[(Z)-(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(6-fluoranyl-2,3-dihydrothiochromen-4-ylidene)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(6-fluorothiochroman-4-ylidene)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-(6-fluoro-2,3-dihydro-1-benzothiopyran-4-ylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(6-fluorothiochroman-4-ylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H22FN3O2S2 MolecularWeight: 383.503883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=C1CCSC2=C1C=C(C=C2)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\1/CCSC2=C1C=C(C=C2)F

InChI

InChI=1S/C17H22FN3O2S2/c1-23-16(22)5-3-2-4-9-19-17(24)21-20-14-8-10-25-15-7-6-12(18)11-13(14)15/h6-7,11H,2-5,8-10H2,1H3,(H2,19,21,24)/b20-14-