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

Systemtic Name: tert-butyl N-[[4-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[[(2-fluoroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[(2-fluorophenyl)thiocarbamoylamino]carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C20H23FN4O3S MolecularWeight: 418.485023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2F

InChI

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