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

Systemtic Name: N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-(4-nitroanilino)-2-oxo-ethyl]-2-(3-piperidyl)oxazole-4-carboxamide CAS Name: N-[1-(4-nitroanilino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-2-(3-piperidinyl)-4-oxazolecarboxamide IUPAC Name: N-[3-benzylsulfanyl-1-(4-nitroanilino)-1-oxopropan-2-yl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide Traditional Name: N-[1-[(benzylthio)methyl]-2-keto-2-(4-nitroanilino)ethyl]-2-(3-piperidyl)oxazole-4-carboxamide Formula: C25H27N5O5S MolecularWeight: 509.57738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=NC(=CO2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CNC1)C2=NC(=CO2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O5S/c31-23(21-14-35-25(29-21)18-7-4-12-26-13-18)28-22(16-36-15-17-5-2-1-3-6-17)24(32)27-19-8-10-20(11-9-19)30(33)34/h1-3,5-6,8-11,14,18,22,26H,4,7,12-13,15-16H2,(H,27,32)(H,28,31)