methyl 6-[(4-fluorophenyl)methylcarbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-fluorophenyl)methylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-fluorophenyl)methylcarbamothioylamino]hexanoate CAS Name: 6-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-fluorophenyl)methylcarbamothioylamino]hexanoate Traditional Name: 6-[(4-fluorobenzyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H21FN2O2S MolecularWeight: 312.402843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NCC1=CC=C(C=C1)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)NCC1=CC=C(C=C1)F

InChI

InChI=1S/C15H21FN2O2S/c1-20-14(19)5-3-2-4-10-17-15(21)18-11-12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3,(H2,17,18,21)