tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-nitrophenyl)methylamino]-2-oxo-ethyl]carbamate CAS Name: N-[3-(cyclohexylmethylthio)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[(4-nitrophenyl)methylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(4-nitrobenzyl)amino]ethyl]carbamic acid tert-butyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H33N3O5S/c1-22(2,3)30-21(27)24-19(15-31-14-17-7-5-4-6-8-17)20(26)23-13-16-9-11-18(12-10-16)25(28)29/h9-12,17,19H,4-8,13-15H2,1-3H3,(H,23,26)(H,24,27)