1,1-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one Openeye Name: 1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-2-(tetrahydrofuran-2-ylmethyl)isothiazol-3-one CAS Name: 1,1-dioxo-2-(2-oxolanylmethyl)-5-phenyl-4-(4-phenylbutylamino)-3-isothiazolone IUPAC Name: 1,1-dioxo-2-(oxolan-2-ylmethyl)-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one Traditional Name: 1,1-diketo-5-phenyl-4-(4-phenylbutylamino)-2-(tetrahydrofurfuryl)isothiazol-3-one Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C(=C(S2(=O)=O)C3=CC=CC=C3)NCCCCC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C(=C(S2(=O)=O)C3=CC=CC=C3)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O4S/c27-24-22(25-16-8-7-12-19-10-3-1-4-11-19)23(20-13-5-2-6-14-20)31(28,29)26(24)18-21-15-9-17-30-21/h1-6,10-11,13-14,21,25H,7-9,12,15-18H2