tert-butyl N-[3-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[(2-fluoroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[(2-fluorophenyl)thiocarbamoylamino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C19H21FN4O3S MolecularWeight: 404.458443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=S)NC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=S)NC2=CC=CC=C2F

InChI

InChI=1S/C19H21FN4O3S/c1-19(2,3)27-18(26)21-13-8-6-7-12(11-13)16(25)23-24-17(28)22-15-10-5-4-9-14(15)20/h4-11H,1-3H3,(H,21,26)(H,23,25)(H2,22,24,28)