N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-[4-(4-o-toluoylpiperazino)phenyl]acetamide Formula: C28H26N6O5S MolecularWeight: 558.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N6O5S/c1-19-4-2-3-5-24(19)27(36)33-16-14-32(15-17-33)22-12-8-21(9-13-22)29-25(35)18-40-28-31-30-26(39-28)20-6-10-23(11-7-20)34(37)38/h2-13H,14-18H2,1H3,(H,29,35)