2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)ethanamide Openeye Name: 2-[(2E)-2-[(2-bromophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide CAS Name: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-[3-(cyclohexylthio)propyl]acetamide IUPAC Name: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide Traditional Name: 2-[(2E)-2-(2-bromobenzylidene)-3-keto-1,4-benzoxazin-4-yl]-N-[3-(cyclohexylthio)propyl]acetamide Formula: C26H29BrN2O3S MolecularWeight: 529.48906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC=CC=C4Br)C2=O

Isomeric SMILES

C1CCC(CC1)SCCCNC(=O)CN2C3=CC=CC=C3O/C(=C/C4=CC=CC=C4Br)/C2=O

InChI

InChI=1S/C26H29BrN2O3S/c27-21-12-5-4-9-19(21)17-24-26(31)29(22-13-6-7-14-23(22)32-24)18-25(30)28-15-8-16-33-20-10-2-1-3-11-20/h4-7,9,12-14,17,20H,1-3,8,10-11,15-16,18H2,(H,28,30)/b24-17+