2-[(2Z)-6-tert-butyl-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzoxazin-4-yl]-N-(3-butylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(2Z)-6-tert-butyl-3-oxidanylidene-2-(phenylmethylidene)-1,4-benzoxazin-4-yl]-N-(3-butylsulfanylpropyl)ethanamide Openeye Name: 2-[(2Z)-2-benzylidene-6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-butylsulfanylpropyl)acetamide CAS Name: 2-[(2Z)-6-tert-butyl-3-oxo-2-(phenylmethylene)-1,4-benzoxazin-4-yl]-N-[3-(butylthio)propyl]acetamide IUPAC Name: 2-[(2Z)-2-benzylidene-6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-butylsulfanylpropyl)acetamide Traditional Name: 2-[(2Z)-2-benzal-6-tert-butyl-3-keto-1,4-benzoxazin-4-yl]-N-[3-(butylthio)propyl]acetamide Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)CN1C2=C(C=CC(=C2)C(C)(C)C)OC(=CC3=CC=CC=C3)C1=O

Isomeric SMILES

CCCCSCCCNC(=O)CN1C2=C(C=CC(=C2)C(C)(C)C)O/C(=C\C3=CC=CC=C3)/C1=O

InChI

InChI=1S/C28H36N2O3S/c1-5-6-16-34-17-10-15-29-26(31)20-30-23-19-22(28(2,3)4)13-14-24(23)33-25(27(30)32)18-21-11-8-7-9-12-21/h7-9,11-14,18-19H,5-6,10,15-17,20H2,1-4H3,(H,29,31)/b25-18-