O-tert-butyl N-(4-isocyanophenyl)carbamothioate

Systemtic Name: O-tert-butyl N-(4-isocyanophenyl)carbamothioate Openeye Name: O-tert-butyl N-(4-isocyanophenyl)carbamothioate CAS Name: N-(4-isocyanophenyl)carbamothioic acid O-tert-butyl ester IUPAC Name: O-tert-butyl N-(4-isocyanophenyl)carbamothioate Traditional Name: N-(4-isocyanophenyl)thiocarbamic acid O-tert-butyl ester Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=S)NC1=CC=C(C=C1)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=S)NC1=CC=C(C=C1)[N+]#[C-]

InChI

InChI=1S/C12H14N2OS/c1-12(2,3)15-11(16)14-10-7-5-9(13-4)6-8-10/h5-8H,1-3H3,(H,14,16)