tert-butyl 2-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]-2-fluoranyl-phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(4-carbamothioylphenyl)carbonylcarbamoylamino]-2-fluoranyl-phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(4-carbamothioylbenzoyl)carbamoylamino]-2-fluoro-phenoxy]acetate CAS Name: 2-[4-[[[[(4-carbamothioylphenyl)-oxomethyl]amino]-oxomethyl]amino]-2-fluorophenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-carbamothioylbenzoyl)carbamoylamino]-2-fluorophenoxy]acetate Traditional Name: 2-[2-fluoro-4-[(4-thiocarbamoylbenzoyl)carbamoylamino]phenoxy]acetic acid tert-butyl ester Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C(=S)N)F

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C(=S)N)F

InChI

InChI=1S/C21H22FN3O5S/c1-21(2,3)30-17(26)11-29-16-9-8-14(10-15(16)22)24-20(28)25-19(27)13-6-4-12(5-7-13)18(23)31/h4-10H,11H2,1-3H3,(H2,23,31)(H2,24,25,27,28)