tert-butyl N-[(4-chlorophenyl)methylcarbamothioylamino]carbamate

Systemtic Name: tert-butyl N-[(4-chlorophenyl)methylcarbamothioylamino]carbamate Openeye Name: tert-butyl N-[(4-chlorophenyl)methylcarbamothioylamino]carbamate CAS Name: N-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-chlorophenyl)methylcarbamothioylamino]carbamate Traditional Name: N-[(4-chlorobenzyl)thiocarbamoylamino]carbamic acid tert-butyl ester Formula: C13H18ClN3O2S MolecularWeight: 315.81892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=S)NCC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=S)NCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H18ClN3O2S/c1-13(2,3)19-12(18)17-16-11(20)15-8-9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H,17,18)(H2,15,16,20)