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

Systemtic Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[1-(4-nitrophenyl)ethylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethylsulfanylmethyl)-2-[1-(4-nitrophenyl)ethylamino]-2-oxo-ethyl]carbamate CAS Name: N-[3-(cyclohexylmethylthio)-1-[1-(4-nitrophenyl)ethylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[1-(4-nitrophenyl)ethylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[1-(4-nitrophenyl)ethylamino]ethyl]carbamic acid tert-butyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CSCC2CCCCC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CSCC2CCCCC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O5S/c1-16(18-10-12-19(13-11-18)26(29)30)24-21(27)20(25-22(28)31-23(2,3)4)15-32-14-17-8-6-5-7-9-17/h10-13,16-17,20H,5-9,14-15H2,1-4H3,(H,24,27)(H,25,28)