N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-2-(4-bromophenoxy)acetamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-2-(4-bromophenoxy)acetamide Formula: C22H17BrN2O3S MolecularWeight: 469.35098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)C1=O)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O3S/c1-13-10-15(24-20(26)12-28-16-8-6-14(23)7-9-16)11-17(21(13)27)22-25-18-4-2-3-5-19(18)29-22/h2-11,25H,12H2,1H3,(H,24,26)/b22-17+