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

Systemtic Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[2-(4-nitrophenyl)propan-2-ylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethylsulfanylmethyl)-2-[[1-methyl-1-(4-nitrophenyl)ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[3-(cyclohexylmethylthio)-1-[2-(4-nitrophenyl)propan-2-ylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[2-(4-nitrophenyl)propan-2-ylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[[1-methyl-1-(4-nitrophenyl)ethyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C24H37N3O5S MolecularWeight: 479.63268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O5S/c1-23(2,3)32-22(29)25-20(16-33-15-17-9-7-6-8-10-17)21(28)26-24(4,5)18-11-13-19(14-12-18)27(30)31/h11-14,17,20H,6-10,15-16H2,1-5H3,(H,25,29)(H,26,28)