2-butyl-4-[(4-morpholin-4-ylphenyl)amino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one

Systemtic Name: 2-butyl-4-[(4-morpholin-4-ylphenyl)amino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one Openeye Name: 2-butyl-4-(4-morpholinoanilino)-1,1-dioxo-5-phenyl-isothiazol-3-one CAS Name: 2-butyl-4-[4-(4-morpholinyl)anilino]-1,1-dioxo-5-phenyl-3-isothiazolone IUPAC Name: 2-butyl-4-(4-morpholin-4-ylanilino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one Traditional Name: 2-butyl-1,1-diketo-4-(4-morpholinoanilino)-5-phenyl-isothiazol-3-one Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H27N3O4S/c1-2-3-13-26-23(27)21(22(31(26,28)29)18-7-5-4-6-8-18)24-19-9-11-20(12-10-19)25-14-16-30-17-15-25/h4-12,24H,2-3,13-17H2,1H3