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

Systemtic Name: 2-tert-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-(3-pyridin-3-yloxypropylamino)-1,2-thiazol-3-one Openeye Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-[3-(3-pyridyloxy)propylamino]isothiazol-3-one CAS Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-[3-(3-pyridinyloxy)propylamino]-3-isothiazolone IUPAC Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-(3-pyridin-3-yloxypropylamino)-1,2-thiazol-3-one Traditional Name: 2-tert-butyl-1,1-diketo-5-phenyl-4-[3-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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