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

Systemtic Name: tert-butyl N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(benzylsulfanylmethyl)-2-(4-nitroanilino)-2-oxo-ethyl]carbamate CAS Name: N-[1-(4-nitroanilino)-1-oxo-3-(phenylmethylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-benzylsulfanyl-1-(4-nitroanilino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(benzylthio)methyl]-2-keto-2-(4-nitroanilino)ethyl]carbamic acid tert-butyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-21(2,3)29-20(26)23-18(14-30-13-15-7-5-4-6-8-15)19(25)22-16-9-11-17(12-10-16)24(27)28/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,26)