methyl 6-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-fluoro-5-methyl-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-fluoro-5-methylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-fluoro-5-methylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-fluoro-5-methyl-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H21FN2O2S MolecularWeight: 312.402843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C15H21FN2O2S/c1-11-7-8-12(16)13(10-11)18-15(21)17-9-5-3-4-6-14(19)20-2/h7-8,10H,3-6,9H2,1-2H3,(H2,17,18,21)