2-tert-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-(3-pyridin-4-yloxypropylamino)-1,2-thiazol-3-one

Systemtic Name: 2-tert-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-(3-pyridin-4-yloxypropylamino)-1,2-thiazol-3-one Openeye Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-[3-(4-pyridyloxy)propylamino]isothiazol-3-one CAS Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-(3-pyridin-4-yloxypropylamino)-3-isothiazolone IUPAC Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-(3-pyridin-4-yloxypropylamino)-1,2-thiazol-3-one Traditional Name: 2-tert-butyl-1,1-diketo-5-phenyl-4-[3-(4-pyridyloxy)propylamino]isothiazol-3-one Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCCCOC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCCCOC3=CC=NC=C3

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)24-20(25)18(19(29(24,26)27)16-8-5-4-6-9-16)23-12-7-15-28-17-10-13-22-14-11-17/h4-6,8-11,13-14,23H,7,12,15H2,1-3H3