(E)-N-(1,3-benzothiazol-6-yl)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-hex-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-6-yl)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-hex-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-6-yl)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-hex-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-6-yl)-3-(4-tert-butylphenyl)-6-(1-imidazolyl)-2-hexenamide IUPAC Name: (E)-N-(1,3-benzothiazol-6-yl)-3-(4-tert-butylphenyl)-6-imidazol-1-ylhex-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-6-yl)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-hex-2-enamide Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=CC(=O)NC2=CC3=C(C=C2)N=CS3)CCCN4C=CN=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C(=C/C(=O)NC2=CC3=C(C=C2)N=CS3)/CCCN4C=CN=C4

InChI

InChI=1S/C26H28N4OS/c1-26(2,3)21-8-6-19(7-9-21)20(5-4-13-30-14-12-27-17-30)15-25(31)29-22-10-11-23-24(16-22)32-18-28-23/h6-12,14-18H,4-5,13H2,1-3H3,(H,29,31)/b20-15+