tert-butyl 4-[[2-[1-(thiocyanatoamino)ethylideneamino]phenyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[1-(thiocyanatoamino)ethylideneamino]phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[1-(thiocyanatoamino)ethylideneamino]anilino]piperidine-1-carboxylate CAS Name: 4-[2-[1-(thiocyanatoamino)ethylideneamino]anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[1-(thiocyanatoamino)ethylideneamino]anilino]piperidine-1-carboxylate Traditional Name: 4-[2-[1-(thiocyanatoamino)ethylideneamino]anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H27N5O2S MolecularWeight: 389.51498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=CC=C1NC2CCN(CC2)C(=O)OC(C)(C)C)NSC#N

Isomeric SMILES

CC(=NC1=CC=CC=C1NC2CCN(CC2)C(=O)OC(C)(C)C)NSC#N

InChI

InChI=1S/C19H27N5O2S/c1-14(23-27-13-20)21-16-7-5-6-8-17(16)22-15-9-11-24(12-10-15)18(25)26-19(2,3)4/h5-8,15,22H,9-12H2,1-4H3,(H,21,23)