tert-butyl N-[4-[[2-(2-fluorophenyl)sulfanylethanoylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[2-(2-fluorophenyl)sulfanylethanoylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]carbamate CAS Name: N-[4-[[[2-[(2-fluorophenyl)thio]-1-oxoethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[[2-[(2-fluorophenyl)thio]acetyl]amino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=CC=CC=C2F

InChI

InChI=1S/C20H22FN3O4S/c1-20(2,3)28-19(27)22-14-10-8-13(9-11-14)18(26)24-23-17(25)12-29-16-7-5-4-6-15(16)21/h4-11H,12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)