tert-butyl N-[[3-(isothiocyanatomethyl)phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-(isothiocyanatomethyl)phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-(isothiocyanatomethyl)phenyl]methyl]carbamate CAS Name: N-[[3-(isothiocyanatomethyl)phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-(isothiocyanatomethyl)phenyl]methyl]carbamate Traditional Name: N-[3-(isothiocyanatomethyl)benzyl]carbamic acid tert-butyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c1-14(2,3)18-13(17)16-9-12-6-4-5-11(7-12)8-15-10-19/h4-7H,8-9H2,1-3H3,(H,16,17)