tert-butyl N-(4-isothiocyanatophenyl)carbamate

Systemtic Name: tert-butyl N-(4-isothiocyanatophenyl)carbamate Openeye Name: tert-butyl N-(4-isothiocyanatophenyl)carbamate CAS Name: N-(4-isothiocyanatophenyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-isothiocyanatophenyl)carbamate Traditional Name: N-(4-isothiocyanatophenyl)carbamic acid tert-butyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C12H14N2O2S/c1-12(2,3)16-11(15)14-10-6-4-9(5-7-10)13-8-17/h4-7H,1-3H3,(H,14,15)