3-[3-[5-(ethylsulfonylamino)thiophen-3-yl]-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide

Systemtic Name: 3-[3-[5-(ethylsulfonylamino)thiophen-3-yl]-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide Openeye Name: 3-[3-[5-(ethylsulfonylamino)-3-thienyl]-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide CAS Name: 3-[3-[5-(ethylsulfonylamino)-3-thiophenyl]-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide IUPAC Name: 3-[3-[5-(ethylsulfonylamino)thiophen-3-yl]-1,2,4-oxadiazol-5-yl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide Traditional Name: 3-[3-[5-(esylamino)-3-thienyl]-1,2,4-oxadiazol-5-yl]-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]propionamide Formula: C22H25N7O5S2 MolecularWeight: 531.6078

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC(=CS1)C2=NOC(=N2)CCC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCS(=O)(=O)NC1=CC(=CS1)C2=NOC(=N2)CCC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H25N7O5S2/c1-2-36(32,33)29-19-12-14(13-35-19)20-25-18(34-28-20)9-8-17(30)23-10-5-11-24-21-15-6-3-4-7-16(15)22(31)27-26-21/h3-4,6-7,12-13,29H,2,5,8-11H2,1H3,(H,23,30)(H,24,26)(H,27,31)