[3-[[tert-butyl(phenylcarbonyl)amino]carbamoyl]phenyl]methyl thiocyanate

Systemtic Name: [3-[[tert-butyl(phenylcarbonyl)amino]carbamoyl]phenyl]methyl thiocyanate Openeye Name: [3-[[benzoyl(tert-butyl)amino]carbamoyl]phenyl]methyl thiocyanate CAS Name: thiocyanic acid [3-[(2-benzoyl-2-tert-butylhydrazinyl)-oxomethyl]phenyl]methyl ester IUPAC Name: [3-[[benzoyl(tert-butyl)amino]carbamoyl]phenyl]methyl thiocyanate Traditional Name: thiocyanic acid [3-[[benzoyl(tert-butyl)amino]carbamoyl]benzyl] ester Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CSC#N

Isomeric SMILES

CC(C)(C)N(C(=O)C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CSC#N

InChI

InChI=1S/C20H21N3O2S/c1-20(2,3)23(19(25)16-9-5-4-6-10-16)22-18(24)17-11-7-8-15(12-17)13-26-14-21/h4-12H,13H2,1-3H3,(H,22,24)