tert-butyl N-(2-phenylsulfanylethylcarbamothioylamino)carbamate

Systemtic Name: tert-butyl N-(2-phenylsulfanylethylcarbamothioylamino)carbamate Openeye Name: tert-butyl N-(2-phenylsulfanylethylcarbamothioylamino)carbamate CAS Name: N-[[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-phenylsulfanylethylcarbamothioylamino)carbamate Traditional Name: N-[2-(phenylthio)ethylthiocarbamoylamino]carbamic acid tert-butyl ester Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=S)NCCSC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=S)NCCSC1=CC=CC=C1

InChI

InChI=1S/C14H21N3O2S2/c1-14(2,3)19-13(18)17-16-12(20)15-9-10-21-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,18)(H2,15,16,20)