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

Systemtic Name: N-[4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide CAS Name: N-[4-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide IUPAC Name: N-[4-[4-(2-chlorobenzoyl)piperazin-1-yl]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-[4-[4-(2-chlorobenzoyl)piperazino]phenyl]-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide Formula: C27H23ClN6O5S MolecularWeight: 579.02672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H23ClN6O5S/c28-23-4-2-1-3-22(23)26(36)33-15-13-32(14-16-33)20-11-7-19(8-12-20)29-24(35)17-40-27-31-30-25(39-27)18-5-9-21(10-6-18)34(37)38/h1-12H,13-17H2,(H,29,35)