tert-butyl N-[3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]phenyl]carbamate CAS Name: N-[3-[[2-[(2-fluorophenyl)methylthio]ethylamino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]phenyl]carbamate Traditional Name: N-[3-[2-[(2-fluorobenzyl)thio]ethylcarbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=CC=C2F

InChI

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