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

Systemtic Name: (phenylmethyl) N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O5S/c28-23(25-20-11-13-21(14-12-20)27(30)31)22(17-33-16-19-9-5-2-6-10-19)26-24(29)32-15-18-7-3-1-4-8-18/h1-14,22H,15-17H2,(H,25,28)(H,26,29)