tert-butyl N-[[4-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[(4-fluorophenyl)thiocarbamoylamino]carbamoyl]benzyl]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)NCC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)F

InChI

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