tert-butyl N-[3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[(4-fluorophenyl)methylcarbamothioylamino]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[(4-fluorobenzyl)thiocarbamoylamino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C20H23FN4O3S MolecularWeight: 418.485023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H23FN4O3S/c1-20(2,3)28-19(27)23-16-6-4-5-14(11-16)17(26)24-25-18(29)22-12-13-7-9-15(21)10-8-13/h4-11H,12H2,1-3H3,(H,23,27)(H,24,26)(H2,22,25,29)