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

Systemtic Name: 2-tert-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-(3-phenylsulfanylpropylamino)-1,2-thiazol-3-one Openeye Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-(3-phenylsulfanylpropylamino)isothiazol-3-one CAS Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-[3-(phenylthio)propylamino]-3-isothiazolone IUPAC Name: 2-tert-butyl-1,1-dioxo-5-phenyl-4-(3-phenylsulfanylpropylamino)-1,2-thiazol-3-one Traditional Name: 2-tert-butyl-1,1-diketo-5-phenyl-4-[3-(phenylthio)propylamino]isothiazol-3-one Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S2/c1-22(2,3)24-21(25)19(20(29(24,26)27)17-11-6-4-7-12-17)23-15-10-16-28-18-13-8-5-9-14-18/h4-9,11-14,23H,10,15-16H2,1-3H3