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

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-(4-bromanylphenoxy)-2-methyl-propanamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]-2-(4-bromophenoxy)-2-methyl-propanamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]-2-(4-bromophenoxy)-2-methylpropanamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]-2-(4-bromophenoxy)-2-methylpropanamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]-2-(4-bromophenoxy)-2-methyl-propionamide Formula: C24H21BrN2O3S MolecularWeight: 497.40414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=CC=CC=C3S2)C1=O)NC(=O)C(C)(C)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=CC=CC=C3S2)/C1=O)NC(=O)C(C)(C)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2O3S/c1-14-12-16(26-23(29)24(2,3)30-17-10-8-15(25)9-11-17)13-18(21(14)28)22-27-19-6-4-5-7-20(19)31-22/h4-13,27H,1-3H3,(H,26,29)/b22-18+