tert-butyl 4-[[2,5-bis(fluoranyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[[2,5-bis(fluoranyl)phenyl]carbamothioylamino]butanoate Openeye Name: tert-butyl 4-[(2,5-difluorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2,5-difluoroanilino)-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2,5-difluorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2,5-difluorophenyl)thiocarbamoylamino]butyric acid tert-butyl ester Formula: C15H20F2N2O2S MolecularWeight: 330.393306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NC1=C(C=CC(=C1)F)F

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NC1=C(C=CC(=C1)F)F

InChI

InChI=1S/C15H20F2N2O2S/c1-15(2,3)21-13(20)5-4-8-18-14(22)19-12-9-10(16)6-7-11(12)17/h6-7,9H,4-5,8H2,1-3H3,(H2,18,19,22)