5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-one

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-one Openeye Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2-(3,4-dimethylanilino)thiazol-4-one CAS Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(3,4-dimethylanilino)-4-thiazolone IUPAC Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-(3,4-dimethylanilino)-1,3-thiazol-4-one Traditional Name: 5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-2-(3,4-dimethylanilino)-2-thiazolin-4-one Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)Br)OCC#C)OC)S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)Br)OCC#C)OC)S2)C

InChI

InChI=1S/C22H19BrN2O3S/c1-5-8-28-20-17(23)10-15(11-18(20)27-4)12-19-21(26)25-22(29-19)24-16-7-6-13(2)14(3)9-16/h1,6-7,9-12H,8H2,2-4H3,(H,24,25,26)