N-(3-nitrophenyl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide Openeye Name: N-(3-nitrophenyl)-4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinecarboxamide IUPAC Name: N-(3-nitrophenyl)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide Traditional Name: N-(3-nitrophenyl)-4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CSC=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CSC=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c25-18(19-14-2-1-3-15(10-14)24(26)27)23-7-5-22(6-8-23)11-16-20-17(21-28-16)13-4-9-29-12-13/h1-4,9-10,12H,5-8,11H2,(H,19,25)