methyl 6-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]hexanoate CAS Name: 6-[[[4-fluoro-N-[(2-hydroxyphenyl)methyl]anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]hexanoate Traditional Name: 6-[[(4-fluorophenyl)-salicyl-thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CCCCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H25FN2O3S/c1-27-20(26)9-3-2-6-14-23-21(28)24(18-12-10-17(22)11-13-18)15-16-7-4-5-8-19(16)25/h4-5,7-8,10-13,25H,2-3,6,9,14-15H2,1H3,(H,23,28)