N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-2-(4-cyclohexylphenoxy)ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]-2-(4-cyclohexylphenoxy)ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-(4-cyclohexylphenoxy)acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-(4-cyclohexylphenoxy)acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]-2-(4-cyclohexylphenoxy)acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]-2-(4-cyclohexylphenoxy)acetamide Formula: C27H25BrN2O2S MolecularWeight: 521.4686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H25BrN2O2S/c28-20-12-15-23(22(16-20)27-30-24-8-4-5-9-25(24)33-27)29-26(31)17-32-21-13-10-19(11-14-21)18-6-2-1-3-7-18/h4-5,8-16,18H,1-3,6-7,17H2,(H,29,31)