tert-butyl N-[(4-isothiocyanatophenyl)methyl]carbamate

Systemtic Name: tert-butyl N-[(4-isothiocyanatophenyl)methyl]carbamate Openeye Name: tert-butyl N-[(4-isothiocyanatophenyl)methyl]carbamate CAS Name: N-[(4-isothiocyanatophenyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-isothiocyanatophenyl)methyl]carbamate Traditional Name: N-(4-isothiocyanatobenzyl)carbamic acid tert-butyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C13H16N2O2S/c1-13(2,3)17-12(16)14-8-10-4-6-11(7-5-10)15-9-18/h4-7H,8H2,1-3H3,(H,14,16)