2-(1-azanyl-2-oxidanyl-propyl)-N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-1,3-oxazole-4-carboxamide

Systemtic Name: 2-(1-azanyl-2-oxidanyl-propyl)-N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-1,3-oxazole-4-carboxamide Openeye Name: 2-(1-amino-2-hydroxy-propyl)-N-[1-(benzylsulfanylmethyl)-2-(4-nitroanilino)-2-oxo-ethyl]oxazole-4-carboxamide CAS Name: 2-(1-amino-2-hydroxypropyl)-N-[1-(4-nitroanilino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-4-oxazolecarboxamide IUPAC Name: 2-(1-amino-2-hydroxypropyl)-N-[3-benzylsulfanyl-1-(4-nitroanilino)-1-oxopropan-2-yl]-1,3-oxazole-4-carboxamide Traditional Name: 2-(1-amino-2-hydroxy-propyl)-N-[1-[(benzylthio)methyl]-2-keto-2-(4-nitroanilino)ethyl]oxazole-4-carboxamide Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=NC(=CO1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N)O

Isomeric SMILES

CC(C(C1=NC(=CO1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N)O

InChI

InChI=1S/C23H25N5O6S/c1-14(29)20(24)23-27-18(11-34-23)21(30)26-19(13-35-12-15-5-3-2-4-6-15)22(31)25-16-7-9-17(10-8-16)28(32)33/h2-11,14,19-20,29H,12-13,24H2,1H3,(H,25,31)(H,26,30)