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

Systemtic Name: 2-tert-butyl-4-(2,2-diphenylethylamino)-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one Openeye Name: 2-tert-butyl-4-(2,2-diphenylethylamino)-1,1-dioxo-5-phenyl-isothiazol-3-one CAS Name: 2-tert-butyl-4-(2,2-diphenylethylamino)-1,1-dioxo-5-phenyl-3-isothiazolone IUPAC Name: 2-tert-butyl-4-(2,2-diphenylethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one Traditional Name: 2-tert-butyl-4-(2,2-diphenylethylamino)-1,1-diketo-5-phenyl-isothiazol-3-one Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S/c1-27(2,3)29-26(30)24(25(33(29,31)32)22-17-11-6-12-18-22)28-19-23(20-13-7-4-8-14-20)21-15-9-5-10-16-21/h4-18,23,28H,19H2,1-3H3